2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C

InChI

InChI=1S/C21H23N3O2S/c1-12-6-7-17(8-13(12)2)14(3)23-20(26)11-27-21-18(10-22)9-19(16(5)25)15(4)24-21/h6-9,14H,11H2,1-5H3,(H,23,26)/t14-/m0/s1