4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carboxylate

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carboxylate Openeye Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolecarboxylate IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazole-3-carboxylate Traditional Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylate Formula: C21H18FN2O5S- MolecularWeight: 429.441423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)C(=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)C(=O)[O-])F

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/h4-10,12H,1,11H2,2-3H3,(H,25,26)/p-1