3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide

Systemtic Name: 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide Openeye Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(cyclopentylthio)phenyl]propanamide IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)-N-[2-(cyclopentylthio)phenyl]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NC2=CC=CC=C2SC3CCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC2=CC=CC=C2SC3CCCC3)C)C#N

InChI

InChI=1S/C22H25N3O2S/c1-14-17(15(2)24-22(27)18(14)13-23)11-12-21(26)25-19-9-5-6-10-20(19)28-16-7-3-4-8-16/h5-6,9-10,16H,3-4,7-8,11-12H2,1-2H3,(H,24,27)(H,25,26)