[3-chloranylsulfanyl-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethoxy]phenyl] thiohypochlorite

Systemtic Name: [3-chloranylsulfanyl-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethoxy]phenyl] thiohypochlorite Openeye Name: [3-chlorosulfanyl-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]phenyl] thiohypochlorite CAS Name: thiohypochlorous acid [3-(chlorothio)-2-[2-oxo-2-(2-pyrimidinylamino)ethoxy]phenyl] ester IUPAC Name: [3-chlorosulfanyl-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]phenyl] thiohypochlorite Traditional Name: thiohypochlorous acid [3-(chlorothio)-2-[2-keto-2-(2-pyrimidylamino)ethoxy]phenyl] ester Formula: C12H9Cl2N3O2S2 MolecularWeight: 362.25476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)SCl)OCC(=O)NC2=NC=CC=N2)SCl

Isomeric SMILES

C1=CC(=C(C(=C1)SCl)OCC(=O)NC2=NC=CC=N2)SCl

InChI

InChI=1S/C12H9Cl2N3O2S2/c13-20-8-3-1-4-9(21-14)11(8)19-7-10(18)17-12-15-5-2-6-16-12/h1-6H,7H2,(H,15,16,17,18)