3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-thiol

Systemtic Name: 3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-thiol Openeye Name: 3-(p-tolylmethyl)-1H-benzimidazol-3-ium-2-thiol CAS Name: 3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-thiol IUPAC Name: 3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-thiol Traditional Name: 3-(4-methylbenzyl)-1H-benzimidazol-3-ium-2-thiol Formula: C15H15N2S+ MolecularWeight: 255.358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)S

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)S

InChI

InChI=1S/C15H14N2S/c1-11-6-8-12(9-7-11)10-17-14-5-3-2-4-13(14)16-15(17)18/h2-9H,10H2,1H3,(H,16,18)/p+1