Molecule FYI-1013466

A

Molecule Summary:

ID: FYI-1013466
Names:
InChIKey: HLZHRVQXUYGQPJ-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013466 Edit

Molecule Structure InChIKey: HLZHRVQXUYGQPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013466
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7152    4.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    6.3959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    6.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  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
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 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
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013466-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
    4.3221    0.6514    1.5225 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1339   -0.1775   -0.1007 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5800    1.8272   -0.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5243    1.0047   -0.8561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6375   -1.4861   -0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102   -0.4142    0.0767 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602    0.3470   -1.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4994    0.0770    1.5489 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1720    1.2596   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202    0.1438    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5566    0.7459   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3142    0.6429   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236   -0.3575    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7352    0.0188    0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124   -0.0730   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3903   -0.2469   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3533   -1.5248    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2476    0.8640   -0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7464   -1.4692    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6407    0.9198   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533   -0.3684    1.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5470   -0.5702   -1.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9604   -0.8570    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7621   -0.9574   -0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366    1.7610   -1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    2.0312    0.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2784   -0.6108   -0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334   -0.3586    1.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196   -1.3430    0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8618   -2.4817    0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7391    1.8085   -0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3102   -2.3891    0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1224    1.8827   -0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1152   -0.2928    2.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028   -0.6529   -2.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9109   -1.1622    0.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5570   -1.3398   -1.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9267   -0.6998    2.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8515    1.0028    1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
$$$$

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2025-01-07, 386👍, 0💬