Molecule Editor

Molecule ID: FYI-1002400 Edit

Molecule Structure InChIKey: VOFJWHSLZOEQQX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CSC(c1ccc(N(=O)=O)cc1)N2NC(=O)c5ccc(OCc4cn(Cc3ccccc3)nn4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002400
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
    9.6780    5.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8782    3.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0784    4.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0784    5.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    6.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777    3.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2786    6.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4788    5.8993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9984    2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7102    4.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3794    7.3844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3309    8.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6864    8.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3009    9.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 29 37  1  0  0  0  0
  1  2  2  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  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 12  1  0  0  0  0
 21 15  1  0  0  0  0
  9 24  1  0  0  0  0
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 34 32  1  0  0  0  0
 33 35  2  0  0  0  0
  9 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002400-3D
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
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    1.1321    0.2085   -0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.0222    0.7954 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0336   -1.7663    1.0450 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1894   -2.2370    2.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -1.6591    3.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -2.2798    4.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700   -3.4808    4.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -4.2183    6.2495 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779   -3.7581    7.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105   -5.2760    6.3949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -4.0200    3.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9523   -3.3888    2.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -1.9274    0.5395 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0758   -3.0458    0.9657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238   -3.6965    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7925   -4.7400    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811   -4.8809    0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 60  1  0  0  0  0
M  END
$$$$