1-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)SC)C

InChI

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