ethyl 2-pyridin-4-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-pyridin-4-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-(4-pyridyl)-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 2-pyridin-4-yl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-pyridin-4-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 1-(4-pyridyl)-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=S)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=CNN(C1=S)C2=CC=NC=C2

InChI

InChI=1S/C11H11N3O2S/c1-2-16-11(15)9-7-13-14(10(9)17)8-3-5-12-6-4-8/h3-7,13H,2H2,1H3