2-[[2-isocyanato-1-(isocyanatomethylsulfanyl)ethyl]sulfanylmethyl]-5-(isocyanatomethylsulfanylmethylsulfanylmethyl)-1,4-dithiane

Systemtic Name: 2-[[2-isocyanato-1-(isocyanatomethylsulfanyl)ethyl]sulfanylmethyl]-5-(isocyanatomethylsulfanylmethylsulfanylmethyl)-1,4-dithiane Openeye Name: 2-[[2-isocyanato-1-(isocyanatomethylsulfanyl)ethyl]sulfanylmethyl]-5-(isocyanatomethylsulfanylmethylsulfanylmethyl)-1,4-dithiane CAS Name: 2-[[[2-isocyanato-1-(isocyanatomethylthio)ethyl]thio]methyl]-5-[[(isocyanatomethylthio)methylthio]methyl]-1,4-dithiane IUPAC Name: 2-[[2-isocyanato-1-(isocyanatomethylsulfanyl)ethyl]sulfanylmethyl]-5-(isocyanatomethylsulfanylmethylsulfanylmethyl)-1,4-dithiane Traditional Name: 2-[[[2-isocyanato-1-(isocyanatomethylthio)ethyl]thio]methyl]-5-[[(isocyanatomethylthio)methylthio]methyl]-1,4-dithiane Formula: C14H19N3O3S6 MolecularWeight: 469.70896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(S1)CSC(CN=C=O)SCN=C=O)CSCSCN=C=O

Isomeric SMILES

C1C(SCC(S1)CSC(CN=C=O)SCN=C=O)CSCSCN=C=O

InChI

InChI=1S/C14H19N3O3S6/c18-6-15-1-14(26-10-17-8-20)25-5-13-4-23-12(3-24-13)2-21-11-22-9-16-7-19/h12-14H,1-5,9-11H2