2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium Traditional Name: 2-[(4-fluorobenzyl)thio]-6-methyl-1H-benzimidazol-3-ium Formula: C15H14FN2S+ MolecularWeight: 273.348463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C15H13FN2S/c1-10-2-7-13-14(8-10)18-15(17-13)19-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)/p+1