ethyl 1-(3-bromanyl-4-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(3-bromanyl-4-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(3-bromo-4-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 1-(3-bromo-4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromo-4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(3-bromo-4-methyl-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O4S/c1-4-27-20(24)18-12-19(14-6-9-16(10-7-14)28(3,25)26)23(22-18)15-8-5-13(2)17(21)11-15/h5-12H,4H2,1-3H3