methyl 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-ethyl-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-4-23-19(20(24)27-2)17(13-5-9-15(21)10-6-13)18(22-23)14-7-11-16(12-8-14)28(3,25)26/h5-12H,4H2,1-3H3