6-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 6-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 6-methyl-2-(o-tolylmethylsulfanyl)-1H-benzimidazol-3-ium CAS Name: 6-methyl-2-[(2-methylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 6-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 6-methyl-2-[(2-methylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C16H17N2S+ MolecularWeight: 269.38458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=CC=C3C

InChI

InChI=1S/C16H16N2S/c1-11-7-8-14-15(9-11)18-16(17-14)19-10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,17,18)/p+1