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

Systemtic Name: 4-tert-butyl-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]-4-tert-butyl-benzenesulfonamide CAS Name: 4-tert-butyl-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]-4-tert-butylbenzenesulfonamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzenesulfonamide Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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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=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2S2/c1-20-10-14-23(15-11-20)31-25(29-30-26(31)34-19-21-8-6-5-7-9-21)18-28-35(32,33)24-16-12-22(13-17-24)27(2,3)4/h5-17,28H,18-19H2,1-4H3