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

Systemtic Name: 3-diethoxyphosphoryl-2-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 2-benzyl-3-diethoxyphosphoryl-1H-1,2,4-triazol-5-one CAS Name: 3-diethoxyphosphoryl-2-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 2-benzyl-3-diethoxyphosphoryl-1H-1,2,4-triazol-5-one Traditional Name: 2-benzyl-3-diethoxyphosphoryl-1H-1,2,4-triazol-5-one Formula: C13H18N3O4P MolecularWeight: 311.273481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=NC(=O)NN1CC2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(C1=NC(=O)NN1CC2=CC=CC=C2)OCC

InChI

InChI=1S/C13H18N3O4P/c1-3-19-21(18,20-4-2)13-14-12(17)15-16(13)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,17)