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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)C(=C(N1)C)C(=O)OC2=CC=CC=N2

Isomeric SMILES

CCN1C(=S)C(=C(N1)C)C(=O)OC2=CC=CC=N2

InChI

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