Molecule FYI-1016352

A

Molecule Summary:

ID: FYI-1016352
Names:
InChIKey: QQPHYDSCNHHKIZ-UHFFFAOYSA-N
SMILES: O=C(CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nsc3ccccc3n4)c5ccc(Cl)cc5

Received at FYIcenter.com on: 2025-12-09

Molecule ID: FYI-1016352 Edit

Molecule Structure InChIKey: QQPHYDSCNHHKIZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nsc3ccccc3n4)c5ccc(Cl)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016352
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  2  6  1  0  0  0  0
  1  3  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
  1 26  2  0  0  0  0
  2 23  2  0  0  0  0
 15 27  2  0  0  0  0
 10 28  1  0  0  0  0
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 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016352-3D
FYIcenter.com

 55 59  0  0  0  0  0  0  0  0999 V2000
    5.3257   -3.1538    7.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6984   -2.3687    7.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471   -0.9903    7.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648   -0.7268    5.9990 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674   -1.1141    5.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739   -2.0291    5.5221 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559   -2.4277    4.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866   -3.3139    5.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212   -2.5573    5.8220 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -3.6148    6.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.5571    6.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4532   -1.7017    4.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4165   -2.3839    3.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -1.6864    2.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9649   -0.3192    2.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9911    0.3586    3.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411   -0.3335    4.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.0031    3.3895 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728   -1.0379    3.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3820   -0.5569    3.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460    0.5566    3.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    0.6183    3.7857 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4854    1.8661    3.3730 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3104    3.1303    3.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7216    4.4009    3.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6563    4.5836    0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7134    3.5860    1.3188 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1774    2.6216    2.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    1.4353    2.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4246   -2.7211    9.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5532   -4.3477   11.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2200   -0.6579    2.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050    5.1293    3.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5859    4.9585   -0.1572 H   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 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 12 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  3  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  2  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 37  2  0  0  0  0
 32 33  2  0  0  0  0
 32 52  1  0  0  0  0
 33 34  1  0  0  0  0
 33 53  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 54  1  0  0  0  0
 37 55  1  0  0  0  0
M  END
$$$$

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2025-12-09, 369👍, 0💬