4-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine

Systemtic Name: 4-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine Openeye Name: 4-[1-[(2-chloro-4-fluoro-phenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine CAS Name: 4-[1-[(2-chloro-4-fluorophenyl)methyl]-2-benzimidazol-1-iumylidene]-1,2,5-oxadiazol-3-amine IUPAC Name: 4-[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine Traditional Name: [4-[1-(2-chloro-4-fluoro-benzyl)benzimidazol-1-ium-2-ylidene]furazan-3-yl]amine Formula: C16H12ClFN5O+ MolecularWeight: 344.750783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C3C(=NON3)N)[N+](=C2C=C1)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC2=NC(=C3C(=NON3)N)[N+](=C2C=C1)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C16H11ClFN5O/c17-11-7-10(18)6-5-9(11)8-23-13-4-2-1-3-12(13)20-16(23)14-15(19)22-24-21-14/h1-7H,8H2,(H2,19,22)/p+1