methyl 2-[[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]sulfamoyl]benzoate Openeye Name: methyl 2-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoate CAS Name: 2-[[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoate Traditional Name: 2-[[3-(benzylthio)-1H-1,2,4-triazol-5-yl]sulfamoyl]benzoic acid methyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4S2/c1-25-15(22)13-9-5-6-10-14(13)27(23,24)21-16-18-17(20-19-16)26-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,18,19,20,21)