N-(2-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N-(2-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N-(2-chlorophenyl)-3-[5-(cyanomethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N-(2-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N-(2-chlorophenyl)-3-[5-(cyanomethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C22H16ClN5O2S2 MolecularWeight: 481.97774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN5O2S2/c23-19-11-4-5-12-20(19)27-32(29,30)18-10-6-7-16(15-18)21-25-26-22(31-14-13-24)28(21)17-8-2-1-3-9-17/h1-12,15,27H,14H2