3-diethoxyphosphoryl-2-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-diethoxyphosphoryl-2-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-diethoxyphosphoryl-2-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-diethoxyphosphoryl-2-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-diethoxyphosphoryl-2-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-diethoxyphosphoryl-2-phenyl-1H-1,2,4-triazol-5-one Formula: C12H16N3O4P MolecularWeight: 297.246901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=NC(=O)NN1C2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(C1=NC(=O)NN1C2=CC=CC=C2)OCC

InChI

InChI=1S/C12H16N3O4P/c1-3-18-20(17,19-4-2)12-13-11(16)14-15(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,16)