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

Systemtic Name: N-[[4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-phenyl-butanamide Openeye Name: N-[[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-butanamide CAS Name: N-[[4-(4-methylphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-phenylbutanamide IUPAC Name: N-[[4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-phenylbutanamide Traditional Name: N-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-butyramide Formula: C28H30N4OS MolecularWeight: 470.629

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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=C4C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4C

InChI

InChI=1S/C28H30N4OS/c1-4-25(22-11-6-5-7-12-22)27(33)29-18-26-30-31-28(32(26)24-16-14-20(2)15-17-24)34-19-23-13-9-8-10-21(23)3/h5-17,25H,4,18-19H2,1-3H3,(H,29,33)