2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]-N-homoveratryl-butyramide Formula: C33H33N3O3S MolecularWeight: 551.69842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C33H33N3O3S/c1-5-31(32(37)35-18-17-23-13-16-29(38-3)30(19-23)39-4)40-33-27(21-34)26(24-14-11-22(2)12-15-24)20-28(36-33)25-9-7-6-8-10-25/h6-16,19-20,31H,5,17-18H2,1-4H3,(H,35,37)