Molecule Editor

Molecule ID: FYI-1013683 Edit

Molecule Structure InChIKey: SAXODNFEKKWZQY-SDNWHVSQSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)s1)c5ccc(N(Cc2ccccc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013683
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
   16.8143    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7522    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1986    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    4.9077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  2  0  0  0  0
 33 29  1  0  0  0  0
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 34 23  2  0  0  0  0
 35 22  1  0  0  0  0
 36 35  2  0  0  0  0
 36 19  1  0  0  0  0
 37  6  2  0  0  0  0
 37  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013683-3D
FYIcenter.com

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.4513   -0.7617   -0.4379 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    0.2300    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056    0.3589    1.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6825   -0.4193    2.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3384   -0.2949    3.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    0.5036    4.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656    0.3925    5.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8663   -0.5125    5.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -0.8543    6.8179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -0.2515    7.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589   -1.7071    6.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -1.2303    4.2369 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5274    1.3359   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6297    2.6581   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3077    3.6390   -0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8784    3.3487   -2.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    4.3254   -2.9043 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5852    3.7922   -3.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0329    3.5716   -3.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453    3.3298   -2.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7724    2.9478   -1.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7010    2.8060   -2.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3208    3.0823   -4.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0056    3.4645   -4.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821    5.7620   -3.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030    6.5497   -3.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3795    7.9028   -3.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2374    8.5741   -3.4728 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1617    7.8913   -3.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    8.6810   -2.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    8.1291   -2.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4764    9.1571   -2.0673 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7296    6.7541   -2.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439    5.9350   -2.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7201    2.0138   -2.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  3 38  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 35  2  0  0  0  0
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 37 57  1  0  0  0  0
M  END
$$$$