4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2SC3=NN=CN3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2SC3=NN=CN3C

InChI

InChI=1S/C17H16N4O4S2/c1-11-7-8-12(16(22)23)9-15(11)27(24,25)20-13-5-3-4-6-14(13)26-17-19-18-10-21(17)2/h3-10,20H,1-2H3,(H,22,23)