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Benzothiadiazoler

Organiske heterocykliske forbindelser, der består af en benzen fusioneret med en thiadiazolring; thiadiazoler har en femleddet ring, der indeholder to nitrogenatomer, et svovlatom og to dobbeltbindinger.

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1

N-Acetyl Tizanidine, TRC

CAS: 173532-15-5 Molekylær formel: C11 H10 Cl N5 O S Molekylvægt (g/mol): 295.75 Synonym: N-Acetyltizanidine,Ethanone, 1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-1-yl]-,1H-Imidazol-2-amine, 1-acetyl-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4,5-dihydro- (9CI),1-[2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-1-yl]ethanone,1-[2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone,N-Acetyl tizanidine IUPAC navn: 1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone SMIL: CC(=O)N1CCN=C1Nc2c(Cl)ccc3nsnc23

Molekylvægt (g/mol) 295.75
CAS 173532-15-5
Synonym N-Acetyltizanidine,Ethanone, 1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-1-yl]-,1H-Imidazol-2-amine, 1-acetyl-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4,5-dihydro- (9CI),1-[2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-1-yl]ethanone,1-[2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone,N-Acetyl tizanidine
SMIL CC(=O)N1CCN=C1Nc2c(Cl)ccc3nsnc23
IUPAC navn 1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
Molekylær formel C11 H10 Cl N5 O S
2

N-(5-Chloro-2,1,3-benzothiadiazol-4-yl)-thiourea, TRC

CAS: 51323-05-8 Molekylær formel: C7H5ClN4S2 Molekylvægt (g/mol): 244.72 Synonym: (5-Chloro-2,1,3-benzothiadiazol-4-yl)-thiourea,Tizanidine EP Impurity B IUPAC navn: (5-chloro-2,1,3-benzothiadiazol-4-yl)thiourea SMIL: NC(=S)Nc1c(Cl)ccc2nsnc12

Molekylvægt (g/mol) 244.72
CAS 51323-05-8
Synonym (5-Chloro-2,1,3-benzothiadiazol-4-yl)-thiourea,Tizanidine EP Impurity B
SMIL NC(=S)Nc1c(Cl)ccc2nsnc12
IUPAC navn (5-chloro-2,1,3-benzothiadiazol-4-yl)thiourea
Molekylær formel C7H5ClN4S2
3

N-(4,5-Dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine, TRC

CAS: 51322-69-1 Molekylær formel: C9H9N5S Molekylvægt (g/mol): 219.27 Synonym: 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-,N-(4,5-Dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine,Deschlorotizanidine,Deschloro tizanidine,Dechloro tizanidine SMIL: C1CN=C(Nc2cccc3nsnc23)N1

Molekylvægt (g/mol) 219.27
CAS 51322-69-1
Synonym 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-,N-(4,5-Dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine,Deschlorotizanidine,Deschloro tizanidine,Dechloro tizanidine
SMIL C1CN=C(Nc2cccc3nsnc23)N1
Molekylær formel C9H9N5S
4

Methyl 2,1,3-benzothiadiazole-5-carboxylate, 98%

CAS: 175204-21-4 Molekylær formel: C8H6N2O2S Molekylvægt (g/mol): 194.21 MDL nummer: MFCD00173948 InChI nøgle: LRMFSMKHXKDUDG-UHFFFAOYSA-N Synonym: methyl benzo-2,1,3-thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylicacid, methyl ester,methyl benzo c 1,2,5-thiadiazole-5-carboxylate,acmc-20akfm,methylbenzo-2,1,3-thiadiazole-5-carboxylate,methyl benzo 1,2,5 thiadiazole-5-carboxylate,methyl benzo c 1,2,5 thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylic acid methyl ester,benzo 1,2,5 thiadiazole-5-carboxylic acid methyl ester PubChem CID: 696381 IUPAC navn: methyl-2,1,3-benzothiadiazol-5-carboxylat SMIL: COC(=O)C1=CC2=NSN=C2C=C1

MDL nummer MFCD00173948
PubChem CID 696381
Molekylvægt (g/mol) 194.21
CAS 175204-21-4
Synonym methyl benzo-2,1,3-thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylicacid, methyl ester,methyl benzo c 1,2,5-thiadiazole-5-carboxylate,acmc-20akfm,methylbenzo-2,1,3-thiadiazole-5-carboxylate,methyl benzo 1,2,5 thiadiazole-5-carboxylate,methyl benzo c 1,2,5 thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylic acid methyl ester,benzo 1,2,5 thiadiazole-5-carboxylic acid methyl ester
SMIL COC(=O)C1=CC2=NSN=C2C=C1
IUPAC navn methyl-2,1,3-benzothiadiazol-5-carboxylat
InChI nøgle LRMFSMKHXKDUDG-UHFFFAOYSA-N
Molekylær formel C8H6N2O2S
5

2,1,3-Benzothiadiazol-5-carboxylsyre, 97 %, Thermo Scientific Chemicals

CAS: 16405-98-4 Molekylær formel: C7H4N2O2S Molekylvægt (g/mol): 180.181 MDL nummer: MFCD01647555 InChI nøgle: YHMXJZVGBCACMT-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-5-carboxylic acid,benzo 1,2,5 thiadiazole-5-carboxylic acid,2??,1,3-benzothiadiazole-5-carboxylic acid,benzo c 1,2,5-thiadiazole-5-carboxylic acid,4ddm,2,1,3-benzothiadiazole-5-carboxylicacid,benzo-2,1,3-thiadiazole-5-carboxylic acid,2,1,3-benzothiadiazole-5-carboxylic acid,benzo 1,2, 5 thiadiazole-5-carboxylic acid,2$l^ 4 ,1,3-benzothiadiazole-5-carboxylic acid PubChem CID: 602011 IUPAC navn: 2,1,3-benzothiadiazol-5-carboxylsyre SMIL: C1=CC2=NSN=C2C=C1C(=O)O

MDL nummer MFCD01647555
PubChem CID 602011
Molekylvægt (g/mol) 180.181
CAS 16405-98-4
Synonym benzo c 1,2,5 thiadiazole-5-carboxylic acid,benzo 1,2,5 thiadiazole-5-carboxylic acid,2??,1,3-benzothiadiazole-5-carboxylic acid,benzo c 1,2,5-thiadiazole-5-carboxylic acid,4ddm,2,1,3-benzothiadiazole-5-carboxylicacid,benzo-2,1,3-thiadiazole-5-carboxylic acid,2,1,3-benzothiadiazole-5-carboxylic acid,benzo 1,2, 5 thiadiazole-5-carboxylic acid,2$l^ 4 ,1,3-benzothiadiazole-5-carboxylic acid
SMIL C1=CC2=NSN=C2C=C1C(=O)O
IUPAC navn 2,1,3-benzothiadiazol-5-carboxylsyre
InChI nøgle YHMXJZVGBCACMT-UHFFFAOYSA-N
Molekylær formel C7H4N2O2S
6

1,2,3-Benzothiadiazol-5-carbonylchlorid, 95 %, Thermo Scientific™

CAS: 321309-32-4 Molekylær formel: C7H3ClN2OS Molekylvægt (g/mol): 198.624 InChI nøgle: VOSTUOLSYXVSND-UHFFFAOYSA-N Synonym: 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride PubChem CID: 2735457 IUPAC navn: 1,2,3-benzothiadiazol-5-carbonylchlorid SMIL: C1=CC2=C(C=C1C(=O)Cl)N=NS2

PubChem CID 2735457
Molekylvægt (g/mol) 198.624
CAS 321309-32-4
Synonym 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride
SMIL C1=CC2=C(C=C1C(=O)Cl)N=NS2
IUPAC navn 1,2,3-benzothiadiazol-5-carbonylchlorid
InChI nøgle VOSTUOLSYXVSND-UHFFFAOYSA-N
Molekylær formel C7H3ClN2OS
7

2,1,3-benzothiadiazol-4-carbaldehyd, 95 %, Thermo Scientific™

CAS: 5170-68-3 Molekylær formel: C7H4N2OS Molekylvægt (g/mol): 164.182 MDL nummer: MFCD02681902 InChI nøgle: ANVJARPTPIVPRC-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carboxaldehyde,tos-bb-1233,2,1,3-benzothiadiazol-4-aldehyde,2,1,3-benzothiadiazole-4-aldehyde,2,1,3-benzothiadiazol-4-carboxaldehyde,benzo c 1,2,5-thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carbaldehyde PubChem CID: 2776283 IUPAC navn: 2,1,3-benzothiadiazol-4-carbaldehyd SMIL: C1=CC2=NSN=C2C(=C1)C=O

MDL nummer MFCD02681902
PubChem CID 2776283
Molekylvægt (g/mol) 164.182
CAS 5170-68-3
Synonym benzo c 1,2,5 thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carboxaldehyde,tos-bb-1233,2,1,3-benzothiadiazol-4-aldehyde,2,1,3-benzothiadiazole-4-aldehyde,2,1,3-benzothiadiazol-4-carboxaldehyde,benzo c 1,2,5-thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carbaldehyde
SMIL C1=CC2=NSN=C2C(=C1)C=O
IUPAC navn 2,1,3-benzothiadiazol-4-carbaldehyd
InChI nøgle ANVJARPTPIVPRC-UHFFFAOYSA-N
Molekylær formel C7H4N2OS
8

2,1,3-benzothiadiazol-5-carbaldehyd, 97 %, Thermo Scientific™

CAS: 71605-72-6 Molekylær formel: C7H4N2OS Molekylvægt (g/mol): 164.182 MDL nummer: MFCD00457949 InChI nøgle: GEFIFDVQYCPLHC-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde PubChem CID: 2776290 IUPAC navn: 2,1,3-benzothiadiazol-5-carbaldehyd SMIL: C1=CC2=NSN=C2C=C1C=O

MDL nummer MFCD00457949
PubChem CID 2776290
Molekylvægt (g/mol) 164.182
CAS 71605-72-6
Synonym benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde
SMIL C1=CC2=NSN=C2C=C1C=O
IUPAC navn 2,1,3-benzothiadiazol-5-carbaldehyd
InChI nøgle GEFIFDVQYCPLHC-UHFFFAOYSA-N
Molekylær formel C7H4N2OS
9

2,1,3-Benzothiadiazol-5-carboxylsyre, 97 %, Thermo Scientific™

CAS: 16405-98-4 Molekylær formel: C7H4N2O2S Molekylvægt (g/mol): 180.181 MDL nummer: MFCD01647555 InChI nøgle: YHMXJZVGBCACMT-UHFFFAOYSA-N PubChem CID: 602011 IUPAC navn: 2,1,3-benzothiadiazol-5-carboxylsyre SMIL: C1=CC2=NSN=C2C=C1C(=O)O

MDL nummer MFCD01647555
PubChem CID 602011
Molekylvægt (g/mol) 180.181
CAS 16405-98-4
SMIL C1=CC2=NSN=C2C=C1C(=O)O
IUPAC navn 2,1,3-benzothiadiazol-5-carboxylsyre
InChI nøgle YHMXJZVGBCACMT-UHFFFAOYSA-N
Molekylær formel C7H4N2O2S
10

2,1,3-Benzothiadiazole, 98%

CAS: 273-13-2 Molekylær formel: C6H4N2S Molekylvægt (g/mol): 136.18 InChI nøgle: PDQRQJVPEFGVRK-UHFFFAOYSA-N Synonym: piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole PubChem CID: 67502 IUPAC navn: 2,1,3-benzothiadiazol SMIL: C1=CC2=NSN=C2C=C1

PubChem CID 67502
Molekylvægt (g/mol) 136.18
CAS 273-13-2
Synonym piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole
SMIL C1=CC2=NSN=C2C=C1
IUPAC navn 2,1,3-benzothiadiazol
InChI nøgle PDQRQJVPEFGVRK-UHFFFAOYSA-N
Molekylær formel C6H4N2S
11

2,1,3-Benzothiadiazole, 98%, Thermo Scientific Chemicals

CAS: 273-13-2 Molekylær formel: C6H4N2S Molekylvægt (g/mol): 136.172 MDL nummer: MFCD00005809 InChI nøgle: PDQRQJVPEFGVRK-UHFFFAOYSA-N Synonym: piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole PubChem CID: 67502 IUPAC navn: 2,1,3-benzothiadiazol SMIL: C1=CC2=NSN=C2C=C1

MDL nummer MFCD00005809
PubChem CID 67502
Molekylvægt (g/mol) 136.172
CAS 273-13-2
Synonym piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole
SMIL C1=CC2=NSN=C2C=C1
IUPAC navn 2,1,3-benzothiadiazol
InChI nøgle PDQRQJVPEFGVRK-UHFFFAOYSA-N
Molekylær formel C6H4N2S
12

5-Chlorobenzo-2,1,3-thiadiazole, 98%

CAS: 2207-32-1 Molekylær formel: C6H3ClN2S Molekylvægt (g/mol): 170.61 MDL nummer: MFCD00174269 InChI nøgle: VRNJWKISMWDTAY-UHFFFAOYSA-N Synonym: 5-chlorobenzo c 1,2,5 thiadiazole,5-chlorobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole, 5-chloro,5-chlorobenzo c 1,2,5-thiadiazole,acmc-1cipd,maybridge1_004942,5-chloranyl-2,1,3-benzothiadiazole,3-chloro-8-thia-7,9-diazabicyclo 4.3.0 nona-2,4,6,9-tetraene PubChem CID: 284123 IUPAC navn: 5-chlor-2,1,3-benzothiadiazol SMIL: ClC1=CC2=NSN=C2C=C1

MDL nummer MFCD00174269
PubChem CID 284123
Molekylvægt (g/mol) 170.61
CAS 2207-32-1
Synonym 5-chlorobenzo c 1,2,5 thiadiazole,5-chlorobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole, 5-chloro,5-chlorobenzo c 1,2,5-thiadiazole,acmc-1cipd,maybridge1_004942,5-chloranyl-2,1,3-benzothiadiazole,3-chloro-8-thia-7,9-diazabicyclo 4.3.0 nona-2,4,6,9-tetraene
SMIL ClC1=CC2=NSN=C2C=C1
IUPAC navn 5-chlor-2,1,3-benzothiadiazol
InChI nøgle VRNJWKISMWDTAY-UHFFFAOYSA-N
Molekylær formel C6H3ClN2S
13

4,7-Dibromo-2,1,3-benzothiadiazole, 97%

CAS: 15155-41-6 Molekylær formel: C6H2Br2N2S Molekylvægt (g/mol): 293.96 MDL nummer: MFCD00658844 InChI nøgle: FEOWHLLJXAECMU-UHFFFAOYSA-N Synonym: 4,7-dibromobenzo c 1,2,5 thiadiazole,4,7-dibromo-2,1,3-benzothidiazole,4,7-dibromobenzo c-1,2,5-thiadiazole,2,1,3-benzothiadiazole, 4,7-dibromo,acmc-1bu18,ksc490o9b,4,7-dibromobenzo 1,2,5 thiadiazole,4,7-dibromobenzo 2,1,3 thiadiazole,4,7-dibromo-2,1,3-benzothiadiazole,4,7-dibromo-benzo 1,2,5 thiadiazole PubChem CID: 626361 IUPAC navn: 4,7-dibrom-2,1,3-benzothiadiazol SMIL: BrC1=CC=C(Br)C2=NSN=C12

MDL nummer MFCD00658844
PubChem CID 626361
Molekylvægt (g/mol) 293.96
CAS 15155-41-6
Synonym 4,7-dibromobenzo c 1,2,5 thiadiazole,4,7-dibromo-2,1,3-benzothidiazole,4,7-dibromobenzo c-1,2,5-thiadiazole,2,1,3-benzothiadiazole, 4,7-dibromo,acmc-1bu18,ksc490o9b,4,7-dibromobenzo 1,2,5 thiadiazole,4,7-dibromobenzo 2,1,3 thiadiazole,4,7-dibromo-2,1,3-benzothiadiazole,4,7-dibromo-benzo 1,2,5 thiadiazole
SMIL BrC1=CC=C(Br)C2=NSN=C12
IUPAC navn 4,7-dibrom-2,1,3-benzothiadiazol
InChI nøgle FEOWHLLJXAECMU-UHFFFAOYSA-N
Molekylær formel C6H2Br2N2S
14

4-aminobenzo-2,1,3-thiadiazol, 98 %, Thermo Scientific Chemicals

CAS: 767-64-6 Molekylær formel: C6H5N3S Molekylvægt (g/mol): 151.187 MDL nummer: MFCD00005810 InChI nøgle: DRLGIZIAMHIQHL-UHFFFAOYSA-N Synonym: 4-aminobenzo-2,1,3-thiadiazole,4-amino-2,1,3-benzothiadiazole,4-aminopiazthiole,benzo c 1,2,5 thiadiazol-4-amine,2,1,3-benzothiadiazole, 4-amino,7-amino-2,1,3-benzothiadiazole,benzo 1,2,5 thiadiazol-4-ylamine,2,1,3-benzothiadiazole, 7-amino,2,1,3-benzothiadiazol-4-ylamine,2,1,3-benzothiadiazol-4 1h-imine PubChem CID: 69845 IUPAC navn: 2,1,3-benzothiadiazol-4-amin SMIL: C1=CC2=NSN=C2C(=C1)N

MDL nummer MFCD00005810
PubChem CID 69845
Molekylvægt (g/mol) 151.187
CAS 767-64-6
Synonym 4-aminobenzo-2,1,3-thiadiazole,4-amino-2,1,3-benzothiadiazole,4-aminopiazthiole,benzo c 1,2,5 thiadiazol-4-amine,2,1,3-benzothiadiazole, 4-amino,7-amino-2,1,3-benzothiadiazole,benzo 1,2,5 thiadiazol-4-ylamine,2,1,3-benzothiadiazole, 7-amino,2,1,3-benzothiadiazol-4-ylamine,2,1,3-benzothiadiazol-4 1h-imine
SMIL C1=CC2=NSN=C2C(=C1)N
IUPAC navn 2,1,3-benzothiadiazol-4-amin
InChI nøgle DRLGIZIAMHIQHL-UHFFFAOYSA-N
Molekylær formel C6H5N3S
15

4-iod-2,1,3-benzothiadiazol, 97 %, Thermo Scientific™

CAS: 352018-95-2 Molekylær formel: C6H3IN2S Molekylvægt (g/mol): 262.07 MDL nummer: MFCD02681904 InChI nøgle: ROPRWVSWECJQIC-UHFFFAOYSA-N Synonym: 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole PubChem CID: 2776287 IUPAC navn: 4-iod-2,1,3-benzothiadiazol SMIL: IC1=CC=CC2=NSN=C12

MDL nummer MFCD02681904
PubChem CID 2776287
Molekylvægt (g/mol) 262.07
CAS 352018-95-2
Synonym 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole
SMIL IC1=CC=CC2=NSN=C12
IUPAC navn 4-iod-2,1,3-benzothiadiazol
InChI nøgle ROPRWVSWECJQIC-UHFFFAOYSA-N
Molekylær formel C6H3IN2S