3-[4-[6-azanyl-4-(4-bromophenyl)-5-cyano-pyridin-2-yl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[4-[6-azanyl-4-(4-bromophenyl)-5-cyano-pyridin-2-yl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[4-[6-amino-4-(4-bromophenyl)-5-cyano-2-pyridyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[4-[6-amino-4-(4-bromophenyl)-5-cyano-2-pyridinyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[4-[6-amino-4-(4-bromophenyl)-5-cyanopyridin-2-yl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[4-[6-amino-4-(4-bromophenyl)-5-cyano-2-pyridyl]phenyl]oxadiazol-3-ium-5-olate Formula: C20H12BrN5O2 MolecularWeight: 434.24558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Br)C#N)N)[N+]4=NOC(=C4)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Br)C#N)N)[N+]4=NOC(=C4)[O-]

InChI

InChI=1S/C20H12BrN5O2/c21-14-5-1-12(2-6-14)16-9-18(24-20(23)17(16)10-22)13-3-7-15(8-4-13)26-11-19(27)28-25-26/h1-9,11H,(H2-,23,24,25,27)