[5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N2O4S/c1-5-18(6-2)23(26)29-22-21(30(27,28)20-14-12-16(3)13-15-20)17(4)24-25(22)19-10-8-7-9-11-19/h7-15,18H,5-6H2,1-4H3