2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium CAS Name: 2-[[(2-chloro-6-fluorophenyl)methylthio]methyl]-1H-benzimidazol-3-ium IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Traditional Name: 2-[[(2-chloro-6-fluoro-benzyl)thio]methyl]-1H-benzimidazol-3-ium Formula: C15H13ClFN2S+ MolecularWeight: 307.793523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C15H12ClFN2S/c16-11-4-3-5-12(17)10(11)8-20-9-15-18-13-6-1-2-7-14(13)19-15/h1-7H,8-9H2,(H,18,19)/p+1