4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate

Systemtic Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate Openeye Name: 5-(4-methylsulfonylphenyl)-2-phenethyl-4-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarboxylate IUPAC Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-2-phenethyl-4-(p-tolyl)pyrazole-3-carboxylate Formula: C26H23N2O4S- MolecularWeight: 459.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H24N2O4S/c1-18-8-10-20(11-9-18)23-24(21-12-14-22(15-13-21)33(2,31)32)27-28(25(23)26(29)30)17-16-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,29,30)/p-1