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

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-butanamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-butanamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-phenylbutanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylbutanamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-butyramide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-3-24(22-12-8-5-9-13-22)26(32)28-18-25-29-30-27(33-19-21-10-6-4-7-11-21)31(25)23-16-14-20(2)15-17-23/h4-17,24H,3,18-19H2,1-2H3,(H,28,32)