4-(2-oxidanylidenepropyl)-2-(phenylmethyl)-1H-1,2,3-triazol-5-one

Systemtic Name: 4-(2-oxidanylidenepropyl)-2-(phenylmethyl)-1H-1,2,3-triazol-5-one Openeye Name: 4-acetonyl-2-benzyl-1H-triazol-5-one CAS Name: 4-(2-oxopropyl)-2-(phenylmethyl)-1H-triazol-5-one IUPAC Name: 2-benzyl-4-(2-oxopropyl)-1H-triazol-5-one Traditional Name: 4-acetonyl-2-benzyl-1H-triazol-5-one Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(NC1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1=NN(NC1=O)CC2=CC=CC=C2

InChI

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