rac-CCT 250863
  -molcms-05272602532D

 34 36  0  0  0  0  0  0  0  0999 V2000
    2.0000    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    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
   -1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0878   -0.0570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8479   -1.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7614   -1.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8659   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5704   -2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0878   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.7321    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.7321    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 11  2  0  0  0  0
 10 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  8  1  0  0  0  0
 22 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25  4  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <ProductName>
rac-CCT 250863

>  <CASNumber>
1364269-06-6

>  <MolecularFormula>
C24H25F3N4O2S

>  <MDLNo>


>  <MolWt>
490.54

>  <BoilingPoint>
582.9��50.0 ��C at 760 mmHg

>  <MeltingPoint>
Not available

>  <MolFile>


>  <Smiles>
C(N)(=O)C1=CC=C(C2=CC(C3SC=C(CN(C)C)C=3)=CN=C2N)C=C1OC(C)/C=C\C(F)(F)F

$$$$