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

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]naphthalene-2-sulfonamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]naphthalene-2-sulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-naphthalenesulfonamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-2-sulfonamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]naphthalene-2-sulfonamide Formula: C27H24N4O2S2 MolecularWeight: 500.63506

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H24N4O2S2/c1-20-11-14-24(15-12-20)31-26(29-30-27(31)34-19-21-7-3-2-4-8-21)18-28-35(32,33)25-16-13-22-9-5-6-10-23(22)17-25/h2-17,28H,18-19H2,1H3