Molecule Editor

Molecule ID: FYI-1002719 Edit

Molecule Structure InChIKey: ROKUSYWWSPXHQV-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC2CCCCCCCCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002719
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    9.6975    3.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    4.1662    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1852    5.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7386    3.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4372    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    6.9986    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    6.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    8.3983    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    6.9986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    6.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573    5.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7732    4.4834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2475    4.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    2.7994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2103    4.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9767    5.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8987    3.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6335    4.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    4.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    0.6999    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  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  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  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002719-3D
FYIcenter.com

 61 62  0     0  0  0  0  0  0999 V2000
    1.8324   -2.9851    1.0095 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940    2.7296   -1.6203 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1493    1.7222   -0.0583 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413   -1.9916   -0.5266 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4415    0.4455   -1.6584 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668   -3.5153    1.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8845   -2.8968    2.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    4.3077    1.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1861   -0.7280    1.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083   -3.8446   -0.2761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5058   -0.6940    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5775   -0.5614    1.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743   -1.9803   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788    0.7578    2.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904   -2.1032   -1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8184    2.0524    1.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314   -1.0865   -2.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2872    2.4588    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5805   -0.6716   -2.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1798    1.4899    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3545   -0.0366   -1.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6588    1.1814   -0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9779   -0.4443    0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1590   -1.0874   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9771    3.3464   -0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7671    3.4250    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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 29 30  1  0  0  0  0
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 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END
$$$$