2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Openeye Name: 2-ethyl-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-ethyl-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H20N2O4S/c1-4-22-19(20(23)24)17(14-7-5-13(2)6-8-14)18(21-22)15-9-11-16(12-10-15)27(3,25)26/h5-12H,4H2,1-3H3,(H,23,24)