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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-5-6-18-14-21(23(22-18)20-12-9-16(3)13-17(20)4)26-27(24,25)19-10-7-15(2)8-11-19/h7-14H,5-6H2,1-4H3