4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]-4-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carboxylic acid Traditional Name: 5-(4-mesylphenyl)-2-[(E)-prop-1-enyl]-4-(p-tolyl)pyrazole-3-carboxylic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC=CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

C/C=C/N1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)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/h4-13H,1-3H3,(H,24,25)/b13-4+