5-phenyl-2-(2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-6-yl)-4H-pyrazol-3-one

Systemtic Name: 5-phenyl-2-(2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-6-yl)-4H-pyrazol-3-one Openeye Name: 5-phenyl-2-(2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-6-yl)-4H-pyrazol-3-one CAS Name: 5-phenyl-2-(2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-6-yl)-4H-pyrazol-3-one IUPAC Name: 5-phenyl-2-(2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-6-yl)-4H-pyrazol-3-one Traditional Name: 5-phenyl-2-(2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-6-yl)-2-pyrazolin-3-one Formula: C14H11N6O+ MolecularWeight: 279.27674

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=N[N+]3=CNN=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

C1C(=NN(C1=O)C2=N[N+]3=CNN=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C14H10N6O/c21-14-8-11(10-4-2-1-3-5-10)17-20(14)13-7-6-12-16-15-9-19(12)18-13/h1-7,9H,8H2/p+1