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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=[NH+]C3=C(N2)C=C(C=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=[NH+]C3=C(N2)C=C(C=C3)C

InChI

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