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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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