2-phenethylsulfanyl-1H-benzimidazol-3-ium

Systemtic Name: 2-phenethylsulfanyl-1H-benzimidazol-3-ium Openeye Name: 2-phenethylsulfanyl-1H-benzimidazol-3-ium CAS Name: 2-(phenethylthio)-1H-benzimidazol-3-ium IUPAC Name: 2-phenethylsulfanyl-1H-benzimidazol-3-ium Traditional Name: 2-(phenethylthio)-1H-benzimidazol-3-ium Formula: C15H15N2S+ MolecularWeight: 255.358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)/p+1