N-tert-butyl-2-[[4-(4-chlorophenyl)-3-cyano-5-ethanoyl-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-(4-chlorophenyl)-3-cyano-5-ethanoyl-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]thio]-N-tert-butyl-acetamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-12-18(13(2)26)19(14-6-8-15(22)9-7-14)16(10-23)20(24-12)28-11-17(27)25-21(3,4)5/h6-9,19,24H,11H2,1-5H3,(H,25,27)