(5-methyl-2-phenyl-pyrazol-3-yl) 2,4-dimethylbenzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2,4-dimethylbenzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-dimethylbenzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H18N2O3S/c1-13-9-10-17(14(2)11-13)24(21,22)23-18-12-15(3)19-20(18)16-7-5-4-6-8-16/h4-12H,1-3H3