N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S2/c1-18-12-14-20(15-13-18)27-22(16-24-31(28,29)21-10-6-3-7-11-21)25-26-23(27)30-17-19-8-4-2-5-9-19/h2-15,24H,16-17H2,1H3