ethyl 3-pyrimidin-4-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-pyrimidin-4-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-pyrimidin-4-yl-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(4-pyrimidinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-pyrimidin-4-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(4-pyrimidyl)-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O2S/c1-2-16-10(15)7-8(13-14-9(7)17)6-3-4-11-5-12-6/h3-5H,2H2,1H3,(H2,13,14,17)