3-(3-methylsulfanylphenyl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-(3-methylsulfanylphenyl)-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-(3-methylsulfanylphenyl)-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[3-(methylthio)phenyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-(3-methylsulfanylphenyl)-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-[3-(methylthio)phenyl]-1H-benzimidazol-3-ium-2-yl]amine Formula: C14H14N3S+ MolecularWeight: 256.34606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)[N+]2=C(NC3=CC=CC=C32)N

Isomeric SMILES

CSC1=CC=CC(=C1)[N+]2=C(NC3=CC=CC=C32)N

InChI

InChI=1S/C14H13N3S/c1-18-11-6-4-5-10(9-11)17-13-8-3-2-7-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)/p+1