ethyl 3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate CAS Name: 3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate Traditional Name: 3,5-bis(4-chlorophenyl)-1-(4-mesylphenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C25H20Cl2N2O4S MolecularWeight: 515.4083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20Cl2N2O4S/c1-3-33-25(30)22-23(16-4-8-18(26)9-5-16)28-29(24(22)17-6-10-19(27)11-7-17)20-12-14-21(15-13-20)34(2,31)32/h4-15H,3H2,1-2H3