ethyl 5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-1-(4-mesylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O4S/c1-3-26-19(23)17-12-18(13-4-6-14(20)7-5-13)22(21-17)15-8-10-16(11-9-15)27(2,24)25/h4-12H,3H2,1-2H3