5-(2-oxidanylidenepropyl)-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one

Systemtic Name: 5-(2-oxidanylidenepropyl)-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one Openeye Name: 5-acetonyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one CAS Name: 5-(2-oxopropyl)-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one IUPAC Name: 5-(2-oxopropyl)-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one Traditional Name: 5-acetonyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(=NNC(=O)N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1C(=NNC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-8(16)7-10-11(14-15-12(17)13-10)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,13,15,17)