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

Systemtic Name: [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] benzenesulfonate Openeye Name: [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(4,6-dimethyl-2-pyrimidinyl)-4-ethyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methylpyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C)C2=NC(=CC(=N2)C)C)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N(N=C1C)C2=NC(=CC(=N2)C)C)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S/c1-5-16-14(4)21-22(18-19-12(2)11-13(3)20-18)17(16)25-26(23,24)15-9-7-6-8-10-15/h6-11H,5H2,1-4H3