3-(diethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(diethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(diethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-[(diethoxyphosphorylthio)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-(diethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-[(diethoxyphosphorylthio)methyl]-1,2,3-benzotriazin-4-one Formula: C12H16N3O4PS MolecularWeight: 329.311901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCOP(=O)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H16N3O4PS/c1-3-18-20(17,19-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3