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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-1H-benzimidazol-3-ium Formula: C14H11ClFN2S+ MolecularWeight: 293.766943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C14H10ClFN2S/c15-10-4-3-5-11(16)9(10)8-19-14-17-12-6-1-2-7-13(12)18-14/h1-7H,8H2,(H,17,18)/p+1