4-methyl-3-[[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[4-(1,3,4-thiadiazol-2-ylthio)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[4-(1,3,4-thiadiazol-2-ylthio)phenyl]sulfamoyl]benzoic acid Formula: C16H13N3O4S3 MolecularWeight: 407.48712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CS3

InChI

InChI=1S/C16H13N3O4S3/c1-10-2-3-11(15(20)21)8-14(10)26(22,23)19-12-4-6-13(7-5-12)25-16-18-17-9-24-16/h2-9,19H,1H3,(H,20,21)