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

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carboxylic acid Openeye Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carboxylic acid CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carboxylic acid Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carboxylic acid Formula: C21H19FN2O5S MolecularWeight: 430.449363

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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)OC)F)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)OC)F)C(=O)O

InChI

InChI=1S/C21H19FN2O5S/c1-4-11-24-20(21(25)26)18(14-7-10-17(29-2)16(22)12-14)19(23-24)13-5-8-15(9-6-13)30(3,27)28/h4-12H,1-3H3,(H,25,26)/b11-4+