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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[[5-benzyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbutanamide Traditional Name: 4-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-homoveratryl-N-methyl-butyramide Formula: C31H36N4O3S MolecularWeight: 544.70754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C31H36N4O3S/c1-23-12-15-26(16-13-23)35-29(22-24-9-6-5-7-10-24)32-33-31(35)39-20-8-11-30(36)34(2)19-18-25-14-17-27(37-3)28(21-25)38-4/h5-7,9-10,12-17,21H,8,11,18-20,22H2,1-4H3