Molecule Editor

Molecule ID: FYI-1016143 Edit

Molecule Structure InChIKey: VBJJYMUGVZWZQK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(n1cnc3c1c[n+](c2ccc(C)c(F)c2)c(=S)n3c4ccc(C)c(F)c4)cc5F

Download SDF Download SVG Structure in 2D SDF:

FYI-1016143
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    4.8083    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2083    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083   10.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2083   11.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083   11.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083   10.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083   12.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3083   10.2406    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7159    7.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4797    4.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8491    4.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    5.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3533    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839    7.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1553    5.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    8.0355    0.0000 F   0  0  0  0  0  0  0  0  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
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 23 22  2  0  0  0  0
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 24 27  1  0  0  0  0
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 29 30  2  0  0  0  0
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 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
  9 18  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016143-3D
FYIcenter.com

 54 58  0  0  0  0  0  0  0  0999 V2000
    1.5151    1.7729   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539    0.8263    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -0.4621    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307   -1.3284    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590   -0.9165    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9632   -1.8077    0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986   -2.8257    0.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3291   -3.4474    0.6519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8718   -2.8309   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0175   -1.8635   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2179   -1.1848   -2.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3175   -1.2508   -2.7880 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.4156   -0.5829   -4.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2836   -0.4232   -4.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3686    0.2602   -6.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5851    0.8161   -6.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8646    1.2223   -6.0093 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6212   -0.0135   -4.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4499   -2.4135   -2.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
M  END
$$$$