Molecule FYI-1016353

A

Molecule Summary:

ID: FYI-1016353
Names:
InChIKey: AOHDUFUGMXVIDM-UHFFFAOYSA-N
SMILES: CC(=O)CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nsc3ccccc3n4

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

Molecule ID: FYI-1016353 Edit

Molecule Structure InChIKey: AOHDUFUGMXVIDM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nsc3ccccc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016353
FYIcenter.com

 31 34  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
    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
    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
    2.4248    5.6000    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
    2.4248    4.2000    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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  1 18  2  0  0  0  0
  2 15  2  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 14 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016353-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
   10.0881   -5.3298    1.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7571   -5.9965    1.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5925   -6.7606    0.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6614   -5.7085    2.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4786   -5.0887    1.7357 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4393   -3.6869    1.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4977   -3.0346    2.2177 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4955   -1.7025    2.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137   -1.0969    2.7781 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122   -0.6923    4.3954 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6581   -0.0304    4.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1614   -0.0121    4.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3448   -2.2397    5.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4849   -2.8340    5.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3446   -4.0034    6.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846   -4.5663    6.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519   -3.9573    6.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0803   -2.7890    5.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5469   -0.9267    1.6871 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069   -1.6006    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4209   -2.9773    1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -3.5520    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026   -4.6866    0.7537 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342   -5.4624    0.0456 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8054   -4.9924   -1.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818   -5.5368   -2.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -4.8815   -2.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181   -3.5503   -3.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0741   -2.8477   -2.7007 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9753   -3.4894   -1.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163   -2.8351   -0.7872 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7838   -5.5917    0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5005   -5.6732    2.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651   -4.2446    1.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0972   -5.1093    3.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3827   -6.6641    2.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6032   -5.4513    2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9612   -0.3161    2.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4775   -2.4144    5.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230   -4.4815    7.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9830   -5.4719    7.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9681   -4.3897    6.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1878   -2.3158    5.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268   -0.9651    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754   -5.4725   -3.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075   -5.4887   -2.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -3.0061   -3.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013   -1.8166   -3.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  3  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$

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2025-12-09, 756👍, 0💬