2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[3-[methyl(phenyl)amino]propyl]ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[3-[methyl(phenyl)amino]propyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[3-(N-methylanilino)propyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-[3-(N-methylanilino)propyl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NCCCN(C)C2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NCCCN(C)C2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C21H24N4O2S/c1-15-19(16(2)26)12-17(13-22)21(24-15)28-14-20(27)23-10-7-11-25(3)18-8-5-4-6-9-18/h4-6,8-9,12H,7,10-11,14H2,1-3H3,(H,23,27)