Molecule FYI-1010668

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A

Molecule Summary:

ID: FYI-1010668
Names:
InChIKey: OUDXCBMXYOHWOB-UHFFFAOYSA-N
SMILES: CCNS(=O)(=O)c1ccc(F)cc1

Received at FYIcenter.com on: 2024-07-02

Molecule ID: FYI-1010668 Edit

Molecule Structure InChIKey: OUDXCBMXYOHWOB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNS(=O)(=O)c1ccc(F)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010668
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.0124    0.0000 O   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010668-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    1.4576   -1.0745    0.2286 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778    0.8576   -0.1444 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -1.0297    1.6234 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -2.3335   -0.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234    0.1156   -0.6407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869   -0.4999    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2899    1.5161   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964   -0.9030   -0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    0.3618    1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980    2.1957   -0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3106   -0.4442   -1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063    0.8205    1.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156    0.4174   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -0.0334   -1.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4611    2.0296   -0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    1.5764    0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224   -1.5677   -1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796    0.6909    1.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4422    1.6964   -0.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7755    2.1726   -1.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    3.2413   -0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9407   -0.7564   -1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998    1.4920    1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1567👍, 0💬