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

Systemtic Name: 3-[4-(6-azanyl-5-cyano-4-phenyl-pyridin-2-yl)phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[4-(6-amino-5-cyano-4-phenyl-2-pyridyl)phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[4-(6-amino-5-cyano-4-phenylpyridin-2-yl)phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[4-(6-amino-5-cyano-4-phenyl-2-pyridyl)phenyl]oxadiazol-3-ium-5-olate Formula: C20H13N5O2 MolecularWeight: 355.34952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)[N+]4=NOC(=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)[N+]4=NOC(=C4)[O-]

InChI

InChI=1S/C20H13N5O2/c21-11-17-16(13-4-2-1-3-5-13)10-18(23-20(17)22)14-6-8-15(9-7-14)25-12-19(26)27-24-25/h1-10,12H,(H2-,22,23,24,26)