5-cyano-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridin-2-olate

Systemtic Name: 5-cyano-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridin-2-olate Openeye Name: 5-cyano-6-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-4-(trifluoromethyl)pyridin-2-olate CAS Name: 5-cyano-6-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-(trifluoromethyl)-2-pyridinolate IUPAC Name: 5-cyano-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridin-2-olate Traditional Name: 5-cyano-6-[[2-keto-2-(4-nitroanilino)ethyl]thio]-4-(trifluoromethyl)pyridin-2-olate Formula: C15H8F3N4O4S- MolecularWeight: 397.30863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=C(C(=CC(=N2)[O-])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)/p-1