ethyl 3-(6-fluoranylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-(6-fluoranylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(6-fluoro-2-pyridyl)-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(6-fluoro-2-pyridinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(6-fluoropyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(6-fluoro-2-pyridyl)-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C11H10FN3O2S MolecularWeight: 267.279403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=S)C2=NC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=C(NNC1=S)C2=NC(=CC=C2)F

InChI

InChI=1S/C11H10FN3O2S/c1-2-17-11(16)8-9(14-15-10(8)18)6-4-3-5-7(12)13-6/h3-5H,2H2,1H3,(H2,14,15,18)