2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride Openeye Name: 2-(p-tolylmethylsulfanyl)-1H-benzimidazol-3-ium chloride CAS Name: 2-[(4-methylphenyl)methylthio]-1H-benzimidazol-3-ium chloride IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride Traditional Name: 2-[(4-methylbenzyl)thio]-1H-benzimidazol-3-ium chloride Formula: C15H15ClN2S MolecularWeight: 290.811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=[NH+]C3=CC=CC=C3N2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=[NH+]C3=CC=CC=C3N2.[Cl-]

InChI

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