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

Systemtic Name: 2-[[(3S,4R)-5-cyano-2,4-dimethyl-3-(phenylcarbonyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(3S,4R)-3-benzoyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[(3S,4R)-3-benzoyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]thio]acetamide IUPAC Name: 2-[[(3S,4R)-3-benzoyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[(3S,4R)-3-benzoyl-5-cyano-2,4-dimethyl-3,4-dihydropyridin-6-yl]thio]acetamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=NC(=C1C#N)SCC(=O)N)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@@H](C(=NC(=C1C#N)SCC(=O)N)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O2S/c1-10-13(8-18)17(23-9-14(19)21)20-11(2)15(10)16(22)12-6-4-3-5-7-12/h3-7,10,15H,9H2,1-2H3,(H2,19,21)/t10-,15-/m0/s1