ethyl 5-(4-bromophenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonyl-phenyl)pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-1-(3-fluoro-4-mesyl-phenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H16BrFN2O4S MolecularWeight: 467.308743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrFN2O4S/c1-3-27-19(24)16-11-17(12-4-6-13(20)7-5-12)23(22-16)14-8-9-18(15(21)10-14)28(2,25)26/h4-11H,3H2,1-2H3