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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(N1)C2=CC=CC=N2)C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N(N1)C2=CC=CC=N2)C(=O)OC

InChI

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