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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-[[5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-[[5-cyano-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[[5-cyano-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C21H17BrClN3O2S MolecularWeight: 490.80058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrClN3O2S/c1-12-2-4-13(5-3-12)15-9-19(27)26-21(16(15)10-24)29-11-20(28)25-18-7-6-14(22)8-17(18)23/h2-8,15H,9,11H2,1H3,(H,25,28)(H,26,27)