4-octyl-1,2-bis(trichloromethylsulfanyl)-1,2,4-triazolidine-3,5-dione

Systemtic Name: 4-octyl-1,2-bis(trichloromethylsulfanyl)-1,2,4-triazolidine-3,5-dione Openeye Name: 4-octyl-1,2-bis(trichloromethylsulfanyl)-1,2,4-triazolidine-3,5-dione CAS Name: 4-octyl-1,2-bis(trichloromethylthio)-1,2,4-triazolidine-3,5-dione IUPAC Name: 4-octyl-1,2-bis(trichloromethylsulfanyl)-1,2,4-triazolidine-3,5-dione Traditional Name: 4-octyl-1,2-bis(trichloromethylthio)urazole Formula: C12H17Cl6N3O2S2 MolecularWeight: 512.13028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)N(N(C1=O)SC(Cl)(Cl)Cl)SC(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCN1C(=O)N(N(C1=O)SC(Cl)(Cl)Cl)SC(Cl)(Cl)Cl

InChI

InChI=1S/C12H17Cl6N3O2S2/c1-2-3-4-5-6-7-8-19-9(22)20(24-11(13,14)15)21(10(19)23)25-12(16,17)18/h2-8H2,1H3