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

Systemtic Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-benzyl-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H22N2O4S/c1-17-8-10-19(11-9-17)22-23(20-12-14-21(15-13-20)32(2,30)31)26-27(24(22)25(28)29)16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,28,29)