(3-fluoranyl-4-methylsulfonyl-phenyl) 3-[4-(furan-2-yl)phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: (3-fluoranyl-4-methylsulfonyl-phenyl) 3-[4-(furan-2-yl)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: (3-fluoro-4-methylsulfonyl-phenyl) 3-[4-(2-furyl)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-[4-(2-furanyl)phenyl]-1H-pyrazole-5-carboxylic acid (3-fluoro-4-methylsulfonylphenyl) ester IUPAC Name: (3-fluoro-4-methylsulfonylphenyl) 3-[4-(furan-2-yl)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[4-(2-furyl)phenyl]-1H-pyrazole-5-carboxylic acid (3-fluoro-4-mesyl-phenyl) ester Formula: C21H15FN2O5S MolecularWeight: 426.417603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C4=CC=CO4)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C4=CC=CO4)F

InChI

InChI=1S/C21H15FN2O5S/c1-30(26,27)20-9-8-15(11-16(20)22)29-21(25)18-12-17(23-24-18)13-4-6-14(7-5-13)19-3-2-10-28-19/h2-12H,1H3,(H,23,24)