4-[[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC2=NNC(=N2)N)C(=CC1=O)O

Isomeric SMILES

C1=CC(=CNC2=NNC(=N2)N)C(=CC1=O)O

InChI

InChI=1S/C9H9N5O2/c10-8-12-9(14-13-8)11-4-5-1-2-6(15)3-7(5)16/h1-4,16H,(H4,10,11,12,13,14)