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

Systemtic Name: 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylate IUPAC Name: 4-(4-chlorophenyl)-2-ethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-ethyl-5-(4-mesylphenyl)pyrazole-3-carboxylate Formula: C19H16ClN2O4S- MolecularWeight: 403.85934

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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)[O-]

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C19H17ClN2O4S/c1-3-22-18(19(23)24)16(12-4-8-14(20)9-5-12)17(21-22)13-6-10-15(11-7-13)27(2,25)26/h4-11H,3H2,1-2H3,(H,23,24)/p-1