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

Systemtic Name: 5-(4-ethylsulfanylphenyl)-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-ethylsulfanylphenyl)-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid CAS Name: 5-[4-(ethylthio)phenyl]-1-(6-methyl-3-pyridazinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-ethylsulfanylphenyl)-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-[4-(ethylthio)phenyl]-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC(=NN2C3=NN=C(C=C3)C)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC(=NN2C3=NN=C(C=C3)C)C(=O)O

InChI

InChI=1S/C17H16N4O2S/c1-3-24-13-7-5-12(6-8-13)15-10-14(17(22)23)20-21(15)16-9-4-11(2)18-19-16/h4-10H,3H2,1-2H3,(H,22,23)