3-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide

Systemtic Name: 3-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide Openeye Name: 3-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide CAS Name: 3-(1H-1,2,4-triazol-1-ium-5-ylthio)-2,3-dihydrothiophene 1,1-dioxide bromide IUPAC Name: 3-(1H-1,2,4-triazol-1-ium-5-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide Traditional Name: 3-(1H-1,2,4-triazol-1-ium-5-ylthio)-2,3-dihydrothiophene 1,1-dioxide bromide Formula: C6H8BrN3O2S2 MolecularWeight: 298.18062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)SC2=NC=N[NH2+]2.[Br-]

Isomeric SMILES

C1C(C=CS1(=O)=O)SC2=NC=N[NH2+]2.[Br-]

InChI

InChI=1S/C6H7N3O2S2.BrH/c10-13(11)2-1-5(3-13)12-6-7-4-8-9-6;/h1-2,4-5H,3H2,(H,7,8,9);1H