[5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-prop-2-enylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-prop-2-enylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-allylsulfanyl-5-ethyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-(prop-2-enylthio)-4-pyrimidinyl] ester IUPAC Name: [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-prop-2-enylsulfanylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(allylthio)-5-ethyl-6-tosyloxy-pyrimidin-4-yl] ester Formula: C23H24N2O6S3 MolecularWeight: 520.64146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC=C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC=C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H24N2O6S3/c1-5-15-32-23-24-21(30-33(26,27)18-11-7-16(3)8-12-18)20(6-2)22(25-23)31-34(28,29)19-13-9-17(4)10-14-19/h5,7-14H,1,6,15H2,2-4H3