5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-methylsulfonylphenyl)-5-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-mesylphenyl)-5-(p-tolyl)pyrazole-3-carboxylic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-12-3-5-13(6-4-12)17-11-16(18(21)22)19-20(17)14-7-9-15(10-8-14)25(2,23)24/h3-11H,1-2H3,(H,21,22)