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

Systemtic Name: [3-chloranylsulfanyl-2-[2-(pyrimidin-2-ylamino)-2-sulfanylidene-ethoxy]phenyl] thiohypochlorite Openeye Name: [3-chlorosulfanyl-2-[2-(pyrimidin-2-ylamino)-2-thioxo-ethoxy]phenyl] thiohypochlorite CAS Name: thiohypochlorous acid [3-(chlorothio)-2-[2-(2-pyrimidinylamino)-2-sulfanylideneethoxy]phenyl] ester IUPAC Name: [3-chlorosulfanyl-2-[2-(pyrimidin-2-ylamino)-2-sulfanylideneethoxy]phenyl] thiohypochlorite Traditional Name: thiohypochlorous acid [3-(chlorothio)-2-[2-(2-pyrimidylamino)-2-thioxo-ethoxy]phenyl] ester Formula: C12H9Cl2N3OS3 MolecularWeight: 378.32036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9Cl2N3OS3/c13-20-8-3-1-4-9(21-14)11(8)18-7-10(19)17-12-15-5-2-6-16-12/h1-6H,7H2,(H,15,16,17,19)