2-(2-azanyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(2-azanyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-amino-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-amino-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenylethanone bromide IUPAC Name: 2-(2-amino-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amino-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide Formula: C25H20BrN5O MolecularWeight: 486.3632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+]3C(=N2)N(C(=N3)N)CC(=O)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+]3C(=N2)N(C(=N3)N)CC(=O)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H20N5O.BrH/c26-24-28-30-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)27-25(30)29(24)17-23(31)20-14-8-3-9-15-20;/h1-16H,17H2,(H2,26,28);1H/q+1;/p-1