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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[[5-cyano-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[5-cyano-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H17ClN4O4S/c1-12-17(22)6-3-7-18(12)24-20(28)11-31-21-16(10-23)15(9-19(27)25-21)13-4-2-5-14(8-13)26(29)30/h2-8,15H,9,11H2,1H3,(H,24,28)(H,25,27)