[2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-fluoranylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-fluoranylbenzoate Openeye Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [4-besyl-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C25H21FN2O4S MolecularWeight: 464.508643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C25H21FN2O4S/c1-16-12-13-22(17(2)14-16)28-24(32-25(29)19-8-7-9-20(26)15-19)23(18(3)27-28)33(30,31)21-10-5-4-6-11-21/h4-15H,1-3H3