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

Systemtic Name: methyl 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carboxylate Openeye Name: methyl 2-allyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazole-3-carboxylate Traditional Name: 2-allyl-4-(4-chlorophenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1CC=C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C(=NN1CC=C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-4-13-24-20(21(25)28-2)18(14-5-9-16(22)10-6-14)19(23-24)15-7-11-17(12-8-15)29(3,26)27/h4-12H,1,13H2,2-3H3