6-bromanyl-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-bromanyl-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-bromo-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-bromo-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)methylthio]-1H-benzimidazole IUPAC Name: 6-bromo-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-bromo-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)methylthio]-1H-benzimidazole Formula: C17H16BrN4S+ MolecularWeight: 388.30474

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=CC=CC=C21)CSC3=NC4=C(N3)C=C(C=C4)Br

Isomeric SMILES

CC[N+]1=C(NC2=CC=CC=C21)CSC3=NC4=C(N3)C=C(C=C4)Br

InChI

InChI=1S/C17H15BrN4S/c1-2-22-15-6-4-3-5-13(15)19-16(22)10-23-17-20-12-8-7-11(18)9-14(12)21-17/h3-9H,2,10H2,1H3,(H,20,21)/p+1