ethyl 5-methyl-2-(6-methylpyridin-2-yl)-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-2-(6-methylpyridin-2-yl)-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-2-(6-methyl-2-pyridyl)-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 5-methyl-2-(6-methyl-2-pyridinyl)-3-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(6-methylpyridin-2-yl)-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 3-methyl-1-(6-methyl-2-pyridyl)-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2S/c1-4-18-13(17)11-9(3)15-16(12(11)19)10-7-5-6-8(2)14-10/h5-7,15H,4H2,1-3H3