2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-6-methyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-6-methyl-1H-benzimidazol-3-ium Formula: C17H19N2S+ MolecularWeight: 283.41116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2S/c1-11-4-6-13(3)14(8-11)10-20-17-18-15-7-5-12(2)9-16(15)19-17/h4-9H,10H2,1-3H3,(H,18,19)/p+1