pyridin-2-yl 2,5-dimethyl-3-sulfanylidene-1H-pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(N1)C)C(=O)OC2=CC=CC=N2

Isomeric SMILES

CC1=C(C(=S)N(N1)C)C(=O)OC2=CC=CC=N2

InChI

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