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

Systemtic Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carboxylic acid Openeye Name: 2-allyl-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazole-3-carboxylic acid Traditional Name: 2-allyl-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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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)CC=C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-4-13-23-20(21(24)25)18(15-7-5-14(2)6-8-15)19(22-23)16-9-11-17(12-10-16)28(3,26)27/h4-12H,1,13H2,2-3H3,(H,24,25)