phenyl 2-pyrimidin-2-ylsulfanylethanesulfonate

Systemtic Name: phenyl 2-pyrimidin-2-ylsulfanylethanesulfonate Openeye Name: phenyl 2-pyrimidin-2-ylsulfanylethanesulfonate CAS Name: 2-(2-pyrimidinylthio)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-pyrimidin-2-ylsulfanylethanesulfonate Traditional Name: 2-(2-pyrimidylthio)ethanesulfonic acid phenyl ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=CC=N2

InChI

InChI=1S/C12H12N2O3S2/c15-19(16,17-11-5-2-1-3-6-11)10-9-18-12-13-7-4-8-14-12/h1-8H,9-10H2