ethyl 2-(3-methylpyridin-2-yl)-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-(3-methylpyridin-2-yl)-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-(3-methyl-2-pyridyl)-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 2-(3-methyl-2-pyridinyl)-3-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylpyridin-2-yl)-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 1-(3-methyl-2-pyridyl)-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=S)C2=C(C=CC=N2)C

Isomeric SMILES

CCOC(=O)C1=CNN(C1=S)C2=C(C=CC=N2)C

InChI

InChI=1S/C12H13N3O2S/c1-3-17-12(16)9-7-14-15(11(9)18)10-8(2)5-4-6-13-10/h4-7,14H,3H2,1-2H3