[2-(3-methylphenyl)-5-propyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-propyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(m-tolyl)-5-propyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-propylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(m-tolyl)-5-propyl-pyrazol-3-yl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C20H22N2O3S/c1-4-6-17-14-20(22(21-17)18-8-5-7-16(3)13-18)25-26(23,24)19-11-9-15(2)10-12-19/h5,7-14H,4,6H2,1-3H3