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

Systemtic Name: 3-(1H-benzimidazol-1-ium-2-ylsulfanyl)-4-chloranyl-2,5-dihydrothiophene 1,1-dioxide bromide Openeye Name: 3-(1H-benzimidazol-1-ium-2-ylsulfanyl)-4-chloro-2,5-dihydrothiophene 1,1-dioxide bromide CAS Name: 3-(1H-benzimidazol-1-ium-2-ylthio)-4-chloro-2,5-dihydrothiophene 1,1-dioxide bromide IUPAC Name: 3-(1H-benzimidazol-1-ium-2-ylsulfanyl)-4-chloro-2,5-dihydrothiophene 1,1-dioxide bromide Traditional Name: 3-(1H-benzimidazol-1-ium-2-ylthio)-4-chloro-2,5-dihydrothiophene 1,1-dioxide bromide Formula: C11H10BrClN2O2S2 MolecularWeight: 381.6963

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(CS1(=O)=O)Cl)SC2=NC3=CC=CC=C3[NH2+]2.[Br-]

Isomeric SMILES

C1C(=C(CS1(=O)=O)Cl)SC2=NC3=CC=CC=C3[NH2+]2.[Br-]

InChI

InChI=1S/C11H9ClN2O2S2.BrH/c12-7-5-18(15,16)6-10(7)17-11-13-8-3-1-2-4-9(8)14-11;/h1-4H,5-6H2,(H,13,14);1H