ethyl 3-(6-ethylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-(6-ethylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(6-ethyl-2-pyridyl)-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(6-ethyl-2-pyridinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(6-ethylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(6-ethyl-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:

CCC1=CC=CC(=N1)C2=C(C(=S)NN2)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC(=N1)C2=C(C(=S)NN2)C(=O)OCC

InChI

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