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

Systemtic Name: 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Openeye Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-(3,4-dimethylphenyl)butyramide Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C25H25N3OS/c1-5-23(24(29)27-21-12-8-17(3)18(4)14-21)30-25-20(15-26)11-13-22(28-25)19-9-6-16(2)7-10-19/h6-14,23H,5H2,1-4H3,(H,27,29)