4-Ethyl-5-1-(4-ethylphenoxy)ethyl-4H-1,2,4-triazole-3-thiol
  -molcms-06162623372D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -6.1482   -1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5604   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5659   -0.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1591   -1.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646   -1.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836    0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781    0.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823   -0.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013    1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -0.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    0.7431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4612    1.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2044    2.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    0.8364    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <ProductName>
4-Ethyl-5-1-(4-ethylphenoxy)ethyl-4H-1,2,4-triazole-3-thiol

>  <CASNumber>
669708-91-2

>  <MolecularFormula>
C14H19N3OS

>  <MDLNo>
MFCD04058188

>  <MolWt>
277.39

>  <BoilingPoint>
378.3��C at 760 mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)S

$$$$