4-cyano-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Openeye Name: 4-cyano-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide CAS Name: 4-cyano-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Traditional Name: 4-cyano-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide Formula: C16H13N5O2S2 MolecularWeight: 371.43672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H13N5O2S2/c1-21-11-18-19-16(21)24-14-6-4-13(5-7-14)20-25(22,23)15-8-2-12(10-17)3-9-15/h2-9,11,20H,1H3