N-(4-bromophenyl)-2-[[(4S)-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[(4S)-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[(4S)-5-cyano-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[(4S)-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[(4S)-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[(4S)-5-cyano-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-13-2-4-14(5-3-13)17-10-19(26)25-21(18(17)11-23)28-12-20(27)24-16-8-6-15(22)7-9-16/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)/t17-/m0/s1