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

Systemtic Name: 2-[[5-cyano-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-cyano-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c22-11-18-17(15-7-4-8-16(9-15)25(28)29)10-19(26)24-21(18)30-13-20(27)23-12-14-5-2-1-3-6-14/h1-9,17H,10,12-13H2,(H,23,27)(H,24,26)