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

Systemtic Name: ethyl 3-(5-chloranylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(5-chloro-2-pyridyl)-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(5-chloro-2-pyridinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-chloropyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(5-chloro-2-pyridyl)-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C11H10ClN3O2S MolecularWeight: 283.734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=S)C2=NC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(NNC1=S)C2=NC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClN3O2S/c1-2-17-11(16)8-9(14-15-10(8)18)7-4-3-6(12)5-13-7/h3-5H,2H2,1H3,(H2,14,15,18)