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

Systemtic Name: methyl 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfonylphenyl)-2-phenethyl-4-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-2-phenethyl-4-(p-tolyl)pyrazole-3-carboxylic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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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)OC

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)OC

InChI

InChI=1S/C27H26N2O4S/c1-19-9-11-21(12-10-19)24-25(22-13-15-23(16-14-22)34(3,31)32)28-29(26(24)27(30)33-2)18-17-20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3