5-chloranyl-6-fluoranyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide

Systemtic Name: 5-chloranyl-6-fluoranyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide Openeye Name: 5-chloro-6-fluoro-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide CAS Name: 5-chloro-6-fluoro-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole hydrobromide IUPAC Name: 5-chloro-6-fluoro-2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide Traditional Name: 5-chloro-6-fluoro-2-[(4-nitrobenzyl)thio]-1H-benzimidazole hydrobromide Formula: C14H10BrClFN3O2S MolecularWeight: 418.668503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=CC(=C(C=C3N2)F)Cl)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=CC(=C(C=C3N2)F)Cl)[N+](=O)[O-].Br

InChI

InChI=1S/C14H9ClFN3O2S.BrH/c15-10-5-12-13(6-11(10)16)18-14(17-12)22-7-8-1-3-9(4-2-8)19(20)21;/h1-6H,7H2,(H,17,18);1H