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

Systemtic Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[4-(3-bromophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C21H18BrN3O3S/c1-28-16-7-5-15(6-8-16)24-20(27)12-29-21-18(11-23)17(10-19(26)25-21)13-3-2-4-14(22)9-13/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)