2-[[(3S,4R)-5-cyano-3-ethanoyl-2,4-dimethyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[(3S,4R)-5-cyano-3-ethanoyl-2,4-dimethyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(3S,4R)-3-acetyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[(3S,4R)-3-acetyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]thio]acetamide IUPAC Name: 2-[[(3S,4R)-3-acetyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[(3S,4R)-3-acetyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]thio]acetamide Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=NC(=C1C#N)SCC(=O)N)C)C(=O)C

Isomeric SMILES

C[C@@H]1[C@@H](C(=NC(=C1C#N)SCC(=O)N)C)C(=O)C

InChI

InChI=1S/C12H15N3O2S/c1-6-9(4-13)12(18-5-10(14)17)15-7(2)11(6)8(3)16/h6,11H,5H2,1-3H3,(H2,14,17)/t6-,11-/m0/s1