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

Systemtic Name: 2-[2-(4-azanyl-1,2,5-oxadiazol-3-ylidene)benzimidazol-1-ium-1-yl]-N-[(5-bromanyl-2-phenylmethoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-ylidene)benzimidazol-1-ium-1-yl]-N-[(2-benzyloxy-5-bromo-phenyl)methyleneamino]acetamide CAS Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-ylidene)-1-benzimidazol-1-iumyl]-N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-ylidene)benzimidazol-1-ium-1-yl]-N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[2-(4-aminofurazan-3-ylidene)benzimidazol-1-ium-1-yl]-N-[(2-benzoxy-5-bromo-benzylidene)amino]acetamide Formula: C25H21BrN7O3+ MolecularWeight: 547.38334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=NNC(=O)C[N+]3=C4C=CC=CC4=NC3=C5C(=NON5)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=NNC(=O)C[N+]3=C4C=CC=CC4=NC3=C5C(=NON5)N

InChI

InChI=1S/C25H20BrN7O3/c26-18-10-11-21(35-15-16-6-2-1-3-7-16)17(12-18)13-28-30-22(34)14-33-20-9-5-4-8-19(20)29-25(33)23-24(27)32-36-31-23/h1-13H,14-15H2,(H3,27,30,32,34)/p+1