4-Methyl-5-(3-nitro-phenyl)-4H-[1,2,4]triazole-3-thiol
  -molcms-06162623122D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.3479    1.0878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878   -0.8090    0.0000 N   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
    3.0000    0.0000    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
    3.0000    1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7321    0.0000 O   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
   -0.5878    0.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2788    1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  2  0  0  0  0
 14  6  1  0  0  0  0
  5 15  1  0  0  0  0
 15  2  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
>  <ProductName>
4-Methyl-5-(3-nitro-phenyl)-4H-[1,2,4]triazole-3-thiol

>  <CASNumber>
168968-59-0

>  <MolecularFormula>
C9H8N4O2S

>  <MDLNo>
MFCD01990247

>  <MolWt>
236.25

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
SC1=NN=C(C2=CC=CC([N+]([O-])=O)=C2)N1C

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