(5-methyl-2-phenyl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-13-10-14(2)19(15(3)11-13)25(22,23)24-18-12-16(4)20-21(18)17-8-6-5-7-9-17/h5-12H,1-4H3