2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanenitrile

Systemtic Name: 2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanenitrile Openeye Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]acetonitrile CAS Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-(trifluoromethyl)-1-benzimidazolyl]acetonitrile IUPAC Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]acetonitrile Traditional Name: 2-[2-(4-aminofurazan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]acetonitrile Formula: C12H7F3N6O MolecularWeight: 308.21879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(N2CC#N)C3=NON=C3N

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(N2CC#N)C3=NON=C3N

InChI

InChI=1S/C12H7F3N6O/c13-12(14,15)6-1-2-8-7(5-6)18-11(21(8)4-3-16)9-10(17)20-22-19-9/h1-2,5H,4H2,(H2,17,20)