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

Systemtic Name: methyl 3-(6-fluoranylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C10H8FN3O2S MolecularWeight: 253.252823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8FN3O2S/c1-16-10(15)7-8(13-14-9(7)17)5-3-2-4-6(11)12-5/h2-4H,1H3,(H2,13,14,17)