3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanamide CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)NC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)NC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C19H20N4O2S/c1-13-10-14(2)22-18(16(13)11-20)26-9-8-17(24)23-19(25)21-12-15-6-4-3-5-7-15/h3-7,10H,8-9,12H2,1-2H3,(H2,21,23,24,25)