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

Systemtic Name: 2-[[(4S)-4-(4-bromophenyl)-5-cyano-3-ethanoyl-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4S)-3-acetyl-4-(4-bromophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[(4S)-3-acetyl-4-(4-bromophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]thio]acetamide IUPAC Name: 2-[[(4S)-3-acetyl-4-(4-bromophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[(4S)-3-acetyl-4-(4-bromophenyl)-5-cyano-2-methyl-3,4-dihydropyridin-6-yl]thio]acetamide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O2S/c1-9-15(10(2)22)16(11-3-5-12(18)6-4-11)13(7-19)17(21-9)24-8-14(20)23/h3-6,15-16H,8H2,1-2H3,(H2,20,23)/t15?,16-/m0/s1