PBLZIAVSGSVUKD-UHFFFAOYSA-N
  -molcms-06162602572D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0933    1.7796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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
    1.5823    0.7045    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
    2.3958   -1.1226    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
   -0.6691   -0.7431    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
   -2.4487   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3147   -0.3364    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1808   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1808   -1.8364    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0468   -0.3364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9603   -0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6295    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1295    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1513    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213    1.3272    0.0000 Br  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  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  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  4  1  0  0  0  0
  3 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  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 11 21  2  0  0  0  0
 21  1  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
>  <ProductName>
PBLZIAVSGSVUKD-UHFFFAOYSA-N

>  <CASNumber>
1022605-83-9

>  <MolecularFormula>
C16H18BrN3OS2

>  <MDLNo>
MFCD00170643

>  <MolWt>
412.37

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1(=O)N(C2=CC=CC=C2)N(C(CSC(=S)N2CCCC2)=C1Br)C

$$$$