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

Systemtic Name: ethyl 1-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(3-fluoro-4-methylsulfonyl-phenyl)-5-[4-(2-furyl)phenyl]pyrazole-3-carboxylate CAS Name: 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-furanyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-(3-fluoro-4-mesyl-phenyl)-5-[4-(2-furyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C23H19FN2O5S MolecularWeight: 454.470763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=CO3)C4=CC(=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=CO3)C4=CC(=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C23H19FN2O5S/c1-3-30-23(27)19-14-20(15-6-8-16(9-7-15)21-5-4-12-31-21)26(25-19)17-10-11-22(18(24)13-17)32(2,28)29/h4-14H,3H2,1-2H3