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

Systemtic Name: 6-ethoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 6-ethoxy-2-(p-tolylmethylsulfanyl)-1H-benzimidazol-3-ium CAS Name: 6-ethoxy-2-[(4-methylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 6-ethoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 6-ethoxy-2-[(4-methylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C17H19N2OS+ MolecularWeight: 299.41056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C17H18N2OS/c1-3-20-14-8-9-15-16(10-14)19-17(18-15)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H,18,19)/p+1