2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N,N-diethyl-2-phenyl-ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N,N-diethyl-2-phenyl-ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N,N-diethyl-2-phenyl-acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N,N-diethyl-2-phenylacetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N,N-diethyl-2-phenylacetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N,N-diethyl-2-phenyl-acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NC(=C(C=C2C#N)C(=O)C)C

Isomeric SMILES

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NC(=C(C=C2C#N)C(=O)C)C

InChI

InChI=1S/C21H23N3O2S/c1-5-24(6-2)21(26)19(16-10-8-7-9-11-16)27-20-17(13-22)12-18(15(4)25)14(3)23-20/h7-12,19H,5-6H2,1-4H3