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

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carboxylic acid Openeye Name: 2-allyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazole-3-carboxylic acid Traditional Name: 2-allyl-4-(4-chlorophenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4S/c1-3-12-23-19(20(24)25)17(13-4-8-15(21)9-5-13)18(22-23)14-6-10-16(11-7-14)28(2,26)27/h3-11H,1,12H2,2H3,(H,24,25)