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

Systemtic Name: ethyl 3-(3-methylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(3-methyl-2-pyridyl)-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(3-methyl-2-pyridinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methylpyridin-2-yl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(3-methyl-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(NNC1=S)C2=C(C=CC=N2)C

Isomeric SMILES

CCOC(=O)C1=C(NNC1=S)C2=C(C=CC=N2)C

InChI

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