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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[(4-fluorophenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(4-fluorobenzyl)thio]-1H-benzimidazol-3-ium Formula: C14H12FN2S+ MolecularWeight: 259.321883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C14H11FN2S/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)/p+1