5-(4-methylphenyl)-2-(2-oxidanylidenepropyl)-1,2,4-triazin-3-one

Systemtic Name: 5-(4-methylphenyl)-2-(2-oxidanylidenepropyl)-1,2,4-triazin-3-one Openeye Name: 2-acetonyl-5-(p-tolyl)-1,2,4-triazin-3-one CAS Name: 5-(4-methylphenyl)-2-(2-oxopropyl)-1,2,4-triazin-3-one IUPAC Name: 5-(4-methylphenyl)-2-(2-oxopropyl)-1,2,4-triazin-3-one Traditional Name: 2-acetonyl-5-(p-tolyl)-1,2,4-triazin-3-one Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)N(N=C2)CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)N(N=C2)CC(=O)C

InChI

InChI=1S/C13H13N3O2/c1-9-3-5-11(6-4-9)12-7-14-16(8-10(2)17)13(18)15-12/h3-7H,8H2,1-2H3