6-cyano-5-oxidanylidene-N,1,7-triphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxamide

Systemtic Name: 6-cyano-5-oxidanylidene-N,1,7-triphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxamide Openeye Name: 6-cyano-5-oxo-N,1,7-triphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxamide CAS Name: 6-cyano-5-oxo-N,1,7-triphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxamide IUPAC Name: 6-cyano-5-oxo-N,1,7-triphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxamide Traditional Name: 6-cyano-5-keto-N,1,7-triphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxamide Formula: C25H17N6O2+ MolecularWeight: 433.44148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)[N+]3=C(NN(C3=N2)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)[N+]3=C(NN(C3=N2)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)C#N

InChI

InChI=1S/C25H16N6O2/c26-16-20-21(17-10-4-1-5-11-17)28-25-30(24(20)33)22(23(32)27-18-12-6-2-7-13-18)29-31(25)19-14-8-3-9-15-19/h1-15H,(H,27,32)/p+1