Molecule FYI-1016358

A

Molecule Summary:

ID: FYI-1016358
Names:
InChIKey: GGXPGBUESUMEIJ-UHFFFAOYSA-N
SMILES: O=C(CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nc3ccccc3s[nH]4)c5ccc(Cl)cc5

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

Molecule ID: FYI-1016358 Edit

Molecule Structure InChIKey: GGXPGBUESUMEIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nc3ccccc3s[nH]4)c5ccc(Cl)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016358
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.2125    7.7000    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
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    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
    2.4249    8.4000    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
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   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
   10.9120    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
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 20 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 34 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016358-3D
FYIcenter.com

 56 60  0  0  0  0  0  0  0  0999 V2000
    0.4038    3.2510   -2.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484    2.8760   -0.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    2.1729    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526    2.0217   -0.0261 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479    3.2540   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264    4.3278    0.4529 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6196    5.5388    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362    6.5930    1.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286    7.4427    0.7701 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2736    6.5010    0.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423    8.4101    1.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0699    8.3753   -0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066    7.8664   -1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    8.6435   -3.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312    9.9337   -3.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   10.4541   -1.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679    9.6822   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7356    5.7637   -0.4811 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847    4.6606   -0.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9967    3.3534   -0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8338    2.1963   -1.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0466    2.3031   -1.9666 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5699    1.1278   -2.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9432    0.8352   -2.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3618   -0.3546   -3.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4339   -1.2797   -4.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0864   -0.9914   -3.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6740    0.1853   -3.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    0.3529   -2.9471 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2051    0.9572   -1.3922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364    3.0331   -0.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8696   10.1183    0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2530    4.9135   -1.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289    1.4950   -2.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4215   -0.5878   -3.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -2.2188   -4.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467   -1.7079   -4.2691 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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  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  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
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 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
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
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 32 33  2  0  0  0  0
 32 53  1  0  0  0  0
 33 34  1  0  0  0  0
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 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 55  1  0  0  0  0
 37 56  1  0  0  0  0
M  END
$$$$

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