propan-2-yl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: propan-2-yl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: isopropyl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(4-mesylphenyl)-1H-pyrazole-5-carboxylic acid isopropyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-12(2)27-20(24)19-17(13-4-8-15(21)9-5-13)18(22-23-19)14-6-10-16(11-7-14)28(3,25)26/h4-12H,1-3H3,(H,22,23)