3-(1H-benzimidazol-1-ium-2-ylsulfanylmethyl)-2,5-dihydrothiophene 1,1-dioxide bromide

Systemtic Name: 3-(1H-benzimidazol-1-ium-2-ylsulfanylmethyl)-2,5-dihydrothiophene 1,1-dioxide bromide Openeye Name: 3-(1H-benzimidazol-1-ium-2-ylsulfanylmethyl)-2,5-dihydrothiophene 1,1-dioxide bromide CAS Name: 3-[(1H-benzimidazol-1-ium-2-ylthio)methyl]-2,5-dihydrothiophene 1,1-dioxide bromide IUPAC Name: 3-(1H-benzimidazol-1-ium-2-ylsulfanylmethyl)-2,5-dihydrothiophene 1,1-dioxide bromide Traditional Name: 3-[(1H-benzimidazol-1-ium-2-ylthio)methyl]-2,5-dihydrothiophene 1,1-dioxide bromide Formula: C12H13BrN2O2S2 MolecularWeight: 361.27782

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CS1(=O)=O)CSC2=NC3=CC=CC=C3[NH2+]2.[Br-]

Isomeric SMILES

C1C=C(CS1(=O)=O)CSC2=NC3=CC=CC=C3[NH2+]2.[Br-]

InChI

InChI=1S/C12H12N2O2S2.BrH/c15-18(16)6-5-9(8-18)7-17-12-13-10-3-1-2-4-11(10)14-12;/h1-5H,6-8H2,(H,13,14);1H