2-[2-(4-azanyl-1,2,5-oxadiazol-3-ylidene)benzimidazol-1-ium-1-yl]-N-[(5-bromanyl-2-prop-2-enoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-[2-(4-azanyl-1,2,5-oxadiazol-3-ylidene)benzimidazol-1-ium-1-yl]-N-[(5-bromanyl-2-prop-2-enoxy-phenyl)methylideneamino]ethanamide Openeye Name: N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-2-[2-(4-amino-1,2,5-oxadiazol-3-ylidene)benzimidazol-1-ium-1-yl]acetamide CAS Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-ylidene)-1-benzimidazol-1-iumyl]-N-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-ylidene)benzimidazol-1-ium-1-yl]-N-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(2-allyloxy-5-bromo-benzylidene)amino]-2-[2-(4-aminofurazan-3-ylidene)benzimidazol-1-ium-1-yl]acetamide Formula: C21H19BrN7O3+ MolecularWeight: 497.32466

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)Br)C=NNC(=O)C[N+]2=C3C=CC=CC3=NC2=C4C(=NON4)N

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)Br)C=NNC(=O)C[N+]2=C3C=CC=CC3=NC2=C4C(=NON4)N

InChI

InChI=1S/C21H18BrN7O3/c1-2-9-31-17-8-7-14(22)10-13(17)11-24-26-18(30)12-29-16-6-4-3-5-15(16)25-21(29)19-20(23)28-32-27-19/h2-8,10-11H,1,9,12H2,(H3,23,26,28,30)/p+1