• 
  [Synonyms]
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	358.349821 [g/mol]
  Molecular Formula	C14H19N2O5PS
  XLogP	0.7
  H-Bond Donor	0
  H-Bond Acceptor	7
  Rotatable Bond Count	9
  Tautomer Count	3
  Exact Mass	358.075229
  MonoIsotopic Mass	358.075229
  Topological Polar Surface Area	87.1
  Heavy Atom Count	23
  Formal Charge	0
  Complexity	499
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	1
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: N-(2-diethoxyphosphoryl-3-methoxy-3-oxoprop-1-enyl)pyridine-3-
  carboximidothioic acid
  Canonical SMILES: CCOP(=O)(C(=CN=C(C1=CN=CC=C1)S)C(=O)OC)OCC
  InChI: InChI=1/C14H19N2O5PS/c1-4-20-22(18,
  21-5-2)12(14(17)19-3)10-16-13(23)11-7-6-8-15-9-11/h6-10H,4-5H2,1-3H3,(H,
  16,23)/f/h23H/b12-10u,16-13-