4-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide

Systemtic Name: 4-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide Openeye Name: 4-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide CAS Name: 4-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylbutanamide IUPAC Name: 4-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylbutanamide Traditional Name: 4-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-butyramide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-22-11-8-9-16-25(22)32-26(21-24-14-6-3-7-15-24)30-31-28(32)34-20-10-17-27(33)29-19-18-23-12-4-2-5-13-23/h2-9,11-16H,10,17-21H2,1H3,(H,29,33)