[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C17H18N4O3S/c1-11-5-7-15(8-6-11)25(22,23)24-16-10-14(4)20-21(16)17-18-12(2)9-13(3)19-17/h5-10H,1-4H3