2-[[3-cyano-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[3-cyano-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-6-keto-4-(trifluoromethyl)-1H-pyridin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C15H9F3N4O4S MolecularWeight: 398.31657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=C(C(=CC(=O)N2)C(F)(F)F)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=C(C(=CC(=O)N2)C(F)(F)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H9F3N4O4S/c16-15(17,18)11-5-12(23)21-14(10(11)6-19)27-7-13(24)20-8-1-3-9(4-2-8)22(25)26/h1-5H,7H2,(H,20,24)(H,21,23)