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

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)butanamide Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(2,3-dimethylphenyl)butanamide CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(2,3-dimethylphenyl)butanamide IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)butanamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(2,3-dimethylphenyl)butyramide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1C)C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1C)C)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C25H25N3O2S/c1-5-23(24(29)27-21-8-6-7-16(2)17(21)3)31-25-19(15-26)11-14-22(28-25)18-9-12-20(30-4)13-10-18/h6-14,23H,5H2,1-4H3,(H,27,29)