1-(6-methylpyridazin-3-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(6-methylpyridazin-3-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(6-methylpyridazin-3-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(6-methyl-3-pyridazinyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(6-methylpyridazin-3-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(6-methylpyridazin-3-yl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=NN=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C16H14N4O2S/c1-10-3-8-15(18-17-10)20-14(9-13(19-20)16(21)22)11-4-6-12(23-2)7-5-11/h3-9H,1-2H3,(H,21,22)