2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)butanamide

Systemtic Name: 2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)butanamide Openeye Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(2,5-dimethylphenyl)butanamide CAS Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(2,5-dimethylphenyl)butanamide IUPAC Name: 2-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)butanamide Traditional Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(2,5-dimethylphenyl)butyramide Formula: C24H22ClN3OS MolecularWeight: 435.96898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3OS/c1-4-22(23(29)27-21-13-15(2)5-6-16(21)3)30-24-18(14-26)9-12-20(28-24)17-7-10-19(25)11-8-17/h5-13,22H,4H2,1-3H3,(H,27,29)