N-(2-cyanoethyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[(3S)-3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl]thio]-N-phenyl-acetamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC(=O)N(CCC#N)C2=CC=CC=C2)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC(=O)N(CCC#N)C2=CC=CC=C2)C#N)C

InChI

InChI=1S/C20H19N5O2S/c1-20(2)15(11-22)18(27)24-19(16(20)12-23)28-13-17(26)25(10-6-9-21)14-7-4-3-5-8-14/h3-5,7-8,15H,6,10,13H2,1-2H3,(H,24,27)/t15-/m0/s1