Molecule FYI-1009258

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A

Molecule Summary:

ID: FYI-1009258
Names:
InChIKey: HBCXGCJAVDGYHI-UHFFFAOYSA-N
SMILES: NNS(=O)(=O)c2ccc1CCCCc1c2

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009258 Edit

Molecule Structure InChIKey: HBCXGCJAVDGYHI-UHFFFAOYSA-N

Molecule Structure SMILES String: NNS(=O)(=O)c2ccc1CCCCc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009258
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.7622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009258-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    2.6239    0.0862   -0.4166 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    1.3363   -1.1537 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574   -1.1251   -0.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    0.3517    1.2202 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4549    0.5859    1.2085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7283    1.3383    0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2079   -0.0040   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498    1.6775   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683   -1.1234    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741    0.5301   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108   -0.7952    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048    0.7873   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -1.8314    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232   -0.2528   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4932   -1.5612   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845    1.3004    1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4393    2.1284    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    0.0340   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231   -0.2131    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9527    2.5449    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4506    1.9623   -1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5267   -2.0374   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4227   -1.3229    1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    1.8126   -0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869   -2.8576    0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -2.3868    0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093    1.1101    1.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    0.6188    2.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5876    1.5294    0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1179👍, 0💬