2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C21H20N4O2S/c1-14-19(15(2)26)12-17(13-23)20(24-14)28-16(3)21(27)25(11-7-10-22)18-8-5-4-6-9-18/h4-6,8-9,12,16H,7,11H2,1-3H3