Molecule FYI-1016357

A

Molecule Summary:

ID: FYI-1016357
Names:
InChIKey: BCGMXKSRMVXTGR-UHFFFAOYSA-N
SMILES: CC(=O)CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nc3ccccc3s[nH]4

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

Molecule ID: FYI-1016357 Edit

Molecule Structure InChIKey: BCGMXKSRMVXTGR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CNc2nc(NS(=O)(=O)c1ccccc1)ncc2c4nc3ccccc3s[nH]4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016357
FYIcenter.com

 31 34  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  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
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 20 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016357-3D
FYIcenter.com

 49 52  0  0  0  0  0  0  0  0999 V2000
    4.8339   -3.0272   -2.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2342   -1.6521   -2.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352   -1.4766   -2.4687 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1799   -0.4881   -2.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7313    0.2724   -0.8430 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654    1.4470   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    1.5900   -1.3141 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3297    2.6758   -1.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    2.8812   -2.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8282    2.1985   -1.7919 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5611    2.4214   -3.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630    2.6656   -0.5381 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6318    0.4224   -1.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8028   -0.3991   -2.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8592   -1.7911   -2.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7786   -2.3661   -1.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6300   -1.5527   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5658   -0.1586   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9759    3.6966   -0.3176 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519    3.5093    0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0651    2.3756    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202    2.1474    1.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4685    3.1236    2.0844 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412    2.7996    3.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    3.6877    4.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    3.3302    5.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209    2.0891    5.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867    1.2241    4.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279    1.5875    3.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9266    0.4396    1.8566 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.8384    1.4112 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0620   -3.7787   -2.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528   -3.1756   -1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6168   -3.1294   -2.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1782    0.1205   -2.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1893   -0.8810   -1.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318    0.4942   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0434    2.9803   -2.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9494    0.0298   -3.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0244   -2.4268   -3.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8627   -3.4411   -1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098   -1.9927    0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5140    0.4666    0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6141    4.3326    1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8909    4.6533    4.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763    4.0213    6.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850    1.7928    6.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5973    0.2570    4.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891    0.1405    1.5601 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
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 382👍, 0💬