2-(1H-benzimidazol-1-ium-2-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(1H-benzimidazol-1-ium-2-ylsulfanyl)ethanoic acid Openeye Name: 2-(1H-benzimidazol-1-ium-2-ylsulfanyl)acetic acid CAS Name: 2-(1H-benzimidazol-1-ium-2-ylthio)acetic acid IUPAC Name: 2-(1H-benzimidazol-1-ium-2-ylsulfanyl)acetic acid Traditional Name: 2-(1H-benzimidazol-1-ium-2-ylthio)acetic acid Formula: C9H9N2O2S+ MolecularWeight: 209.24496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH2+]C(=N2)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[NH2+]C(=N2)SCC(=O)O

InChI

InChI=1S/C9H8N2O2S/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9/h1-4H,5H2,(H,10,11)(H,12,13)/p+1