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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C15H12ClFN2S/c1-9-5-6-13-14(7-9)19-15(18-13)20-8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3,(H,18,19)/p+1