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

Systemtic Name: methyl 3-(6-chloranylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: methyl 3-(6-chloro-2-pyridyl)-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(6-chloro-2-pyridinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(6-chloropyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(6-chloro-2-pyridyl)-5-thioxo-3-pyrazoline-4-carboxylic acid methyl ester Formula: C10H8ClN3O2S MolecularWeight: 269.70742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClN3O2S/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)