5-methylsulfanyl-2-sulfanyl-1,8-dihydro-[1,2,3]triazolo[1,5-c]pyrimidin-8-ium bromide

Systemtic Name: 5-methylsulfanyl-2-sulfanyl-1,8-dihydro-[1,2,3]triazolo[1,5-c]pyrimidin-8-ium bromide Openeye Name: 5-methylsulfanyl-2-sulfanyl-1,8-dihydrotriazolo[1,5-c]pyrimidin-8-ium bromide CAS Name: 2-mercapto-5-(methylthio)-1,8-dihydrotriazolo[1,5-c]pyrimidin-8-ium bromide IUPAC Name: 5-methylsulfanyl-2-sulfanyl-1,8-dihydrotriazolo[1,5-c]pyrimidin-8-ium bromide Traditional Name: 2-mercapto-5-(methylthio)-1,8-dihydrotriazolo[1,5-c]pyrimidin-8-ium bromide Formula: C6H9BrN4S2 MolecularWeight: 281.19646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=CN(N[NH+]2C=N1)S.[Br-]

Isomeric SMILES

CSC1=CC2=CN(N[NH+]2C=N1)S.[Br-]

InChI

InChI=1S/C6H8N4S2.BrH/c1-12-6-2-5-3-10(11)8-9(5)4-7-6;/h2-4,8,11H,1H3;1H