5-cyano-3-ethanoyl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-olate

Systemtic Name: 5-cyano-3-ethanoyl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-olate Openeye Name: 3-acetyl-5-cyano-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-olate CAS Name: 3-acetyl-5-cyano-6-mercapto-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-olate IUPAC Name: 3-acetyl-5-cyano-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-olate Traditional Name: 3-acetyl-5-cyano-6-mercapto-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-olate Formula: C15H10F3N2O2S- MolecularWeight: 339.31231

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(=C(N=C1[O-])S)C#N)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(=O)C1C(C(=C(N=C1[O-])S)C#N)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H11F3N2O2S/c1-7(21)11-12(9(6-19)14(23)20-13(11)22)8-4-2-3-5-10(8)15(16,17)18/h2-5,11-12,23H,1H3,(H,20,22)/p-1