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

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(2,5-dimethylphenyl)propionamide Formula: C23H20ClN3OS MolecularWeight: 421.9424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C23H20ClN3OS/c1-15-3-4-16(2)21(13-15)26-22(28)11-12-29-23-18(14-25)7-10-20(27-23)17-5-8-19(24)9-6-17/h3-10,13H,11-12H2,1-2H3,(H,26,28)