4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-5-(4-mesylphenyl)-2-phenethyl-pyrazole-3-carboxylic acid Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4S/c1-33(31,32)21-13-9-19(10-14-21)23-22(18-7-11-20(26)12-8-18)24(25(29)30)28(27-23)16-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,29,30)