Molecule Editor

Molecule ID: FYI-1008995 Edit

Molecule Structure InChIKey: XQNBRKJAXBTZMN-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Nc5ccc(c4cc3c(Nc2ccc(Oc1cccc(C(F)(F)F)c1)c(Cl)c2)ncnc3s4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1008995
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
   15.0904   11.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7904   12.2705    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   13.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0028   11.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5779   12.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655   12.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   12.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406   12.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406   10.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   10.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655   10.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7282   10.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4493   10.7399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125    9.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4125    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9125    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1125    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5819    8.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 31  1  0  0  0  0
 35 23  1  0  0  0  0
 36 35  1  0  0  0  0
 37 35  2  0  0  0  0
 37 20  1  0  0  0  0
 38 18  2  0  0  0  0
 38 14  1  0  0  0  0
 39 38  1  0  0  0  0
 39 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008995-3D
FYIcenter.com

 57 61  0     0  0  0  0  0  0999 V2000
   -3.9690   -3.7849   -0.7830 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7352    2.4048    0.6439 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2798   -0.5174   -0.7879 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4354    2.0182   -2.4063 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2977    0.3745   -3.2610 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2786    1.9650   -2.1838 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6958   -2.1356    1.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1441    0.7021   -0.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5038   -1.2945   -0.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207   -0.4037    0.6971 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9494   -1.5749   -0.5066 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073    3.4203    1.0584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    1.9405    1.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    1.0232    0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510    0.7173    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1516    0.1331    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6194    0.1011    0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    2.3170    0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1711    0.8682    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640   -0.9965   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1480    0.2479    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4114   -0.5466   -1.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4041   -0.3168    0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -1.1114   -1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9883   -0.6131    1.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    3.1374    1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6804   -1.2393    0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0041   -0.1144   -2.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
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  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
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  3 33  1  0  0  0  0
  4 39  1  0  0  0  0
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  7 32  1  0  0  0  0
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 17 40  1  0  0  0  0
 20 24  2  0  0  0  0
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 21 41  1  0  0  0  0
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 38 57  1  0  0  0  0
M  END
$$$$