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

Systemtic Name: 4-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide Openeye Name: 4-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide CAS Name: 4-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylbutanamide IUPAC Name: 4-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylbutanamide Traditional Name: 4-[[5-benzyl-4-(m-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=C1)N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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