2-[2-(1H-benzimidazol-3-ium-2-yl)ethylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[2-(1H-benzimidazol-3-ium-2-yl)ethylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[2-(1H-benzimidazol-3-ium-2-yl)ethylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[2-(1H-benzimidazol-3-ium-2-yl)ethylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[2-(1H-benzimidazol-3-ium-2-yl)ethylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[2-(1H-benzimidazol-3-ium-2-yl)ethylthio]-1H-benzimidazol-3-ium Formula: C16H16N4S+2 MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CCSC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CCSC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C16H14N4S/c1-2-6-12-11(5-1)17-15(18-12)9-10-21-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)/p+2