methyl 3-sulfanylidene-2-[3-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 3-sulfanylidene-2-[3-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate Openeye Name: methyl 3-thioxo-2-[3-(trifluoromethyl)-2-pyridyl]-1H-pyrazole-4-carboxylate CAS Name: 3-sulfanylidene-2-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-sulfanylidene-2-[3-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate Traditional Name: 5-thioxo-1-[3-(trifluoromethyl)-2-pyridyl]-3-pyrazoline-4-carboxylic acid methyl ester Formula: C11H8F3N3O2S MolecularWeight: 303.26033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8F3N3O2S/c1-19-10(18)6-5-16-17(9(6)20)8-7(11(12,13)14)3-2-4-15-8/h2-5,16H,1H3