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

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-phenethyl-propanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-phenethylpropanamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-phenethylpropanamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-phenethyl-propionamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NCCC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)NCCC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C20H21N3O2S/c1-13-18(14(2)24)11-17(12-21)20(23-13)26-15(3)19(25)22-10-9-16-7-5-4-6-8-16/h4-8,11,15H,9-10H2,1-3H3,(H,22,25)