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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-bromophenyl)acetamide Formula: C21H16BrN3O4S MolecularWeight: 486.33844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H16BrN3O4S/c22-13-2-4-14(5-3-13)24-20(27)10-30-21-16(9-23)15(8-19(26)25-21)12-1-6-17-18(7-12)29-11-28-17/h1-7,15H,8,10-11H2,(H,24,27)(H,25,26)