4-(1H-1,2,4-triazol-5-ylhydrazinylidene)cyclohexa-2,5-dien-1-one hydrate

Systemtic Name: 4-(1H-1,2,4-triazol-5-ylhydrazinylidene)cyclohexa-2,5-dien-1-one hydrate Openeye Name: 4-(1H-1,2,4-triazol-5-ylhydrazono)cyclohexa-2,5-dien-1-one hydrate CAS Name: 4-(1H-1,2,4-triazol-5-ylhydrazinylidene)-1-cyclohexa-2,5-dienone hydrate IUPAC Name: 4-(1H-1,2,4-triazol-5-ylhydrazinylidene)cyclohexa-2,5-dien-1-one hydrate Traditional Name: 4-(1H-1,2,4-triazol-5-ylhydrazono)cyclohexa-2,5-dien-1-one hydrate Formula: C8H9N5O2 MolecularWeight: 207.18936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=NNC2=NC=NN2.O

Isomeric SMILES

C1=CC(=O)C=CC1=NNC2=NC=NN2.O

InChI

InChI=1S/C8H7N5O.H2O/c14-7-3-1-6(2-4-7)11-13-8-9-5-10-12-8;/h1-5H,(H2,9,10,12,13);1H2