[3-(trifluoromethyl)phenyl]methyl 6-sulfanylidene-1H-pyridine-2-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 6-sulfanylidene-1H-pyridine-2-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 6-thioxo-1H-pyridine-2-carboxylate CAS Name: 6-sulfanylidene-1H-pyridine-2-carboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 6-sulfanylidene-1H-pyridine-2-carboxylate Traditional Name: 6-thioxo-1H-pyridine-2-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C14H10F3NO2S MolecularWeight: 313.29491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC=CC(=S)N2

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC=CC(=S)N2

InChI

InChI=1S/C14H10F3NO2S/c15-14(16,17)10-4-1-3-9(7-10)8-20-13(19)11-5-2-6-12(21)18-11/h1-7H,8H2,(H,18,21)