ethyl 5-methyl-2-pyridin-2-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-2-pyridin-2-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-2-(2-pyridyl)-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 5-methyl-2-(2-pyridinyl)-3-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-pyridin-2-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 3-methyl-1-(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=C(NN(C1=S)C2=CC=CC=N2)C

Isomeric SMILES

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

InChI

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