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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-(m-tolylmethylsulfanyl)-1H-benzimidazol-3-ium CAS Name: 2-[(3-methylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(3-methylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C15H15N2S+ MolecularWeight: 255.358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=[NH+]C3=CC=CC=C3N2

InChI

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