methyl 2-pyrimidin-2-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 2-pyrimidin-2-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: methyl 2-pyrimidin-2-yl-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 2-(2-pyrimidinyl)-3-sulfanylidene-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-pyrimidin-2-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 1-(2-pyrimidyl)-5-thioxo-3-pyrazoline-4-carboxylic acid methyl ester Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNN(C1=S)C2=NC=CC=N2

Isomeric SMILES

COC(=O)C1=CNN(C1=S)C2=NC=CC=N2

InChI

InChI=1S/C9H8N4O2S/c1-15-8(14)6-5-12-13(7(6)16)9-10-3-2-4-11-9/h2-5,12H,1H3