(5-methyl-2-phenyl-pyrazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-13-8-10-16(11-9-13)23(20,21)22-17-12-14(2)18-19(17)15-6-4-3-5-7-15/h3-12H,1-2H3