4-(7-oxidanyl-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenecarbonitrile

Systemtic Name: 4-(7-oxidanyl-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenecarbonitrile Openeye Name: 4-(7-hydroxy-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzonitrile CAS Name: 4-(7-hydroxy-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzonitrile IUPAC Name: 4-(7-hydroxy-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzonitrile Traditional Name: 4-(7-hydroxy-5-keto-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzonitrile Formula: C12H7N5O2 MolecularWeight: 253.21628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=C(N3C(=NC2=O)N=CN3)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C(N3C(=NC2=O)N=CN3)O

InChI

InChI=1S/C12H7N5O2/c13-5-7-1-3-8(4-2-7)9-10(18)16-12-14-6-15-17(12)11(9)19/h1-4,6,19H,(H,14,15,16,18)