methyl 3-pyridin-2-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: methyl 3-pyridin-2-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: methyl 3-(2-pyridyl)-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(2-pyridinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-pyridin-2-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(2-pyridyl)-5-thioxo-3-pyrazoline-4-carboxylic acid methyl ester Formula: C10H9N3O2S MolecularWeight: 235.26236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O2S/c1-15-10(14)7-8(12-13-9(7)16)6-4-2-3-5-11-6/h2-5H,1H3,(H2,12,13,16)