Molecule FYI-1001717

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A

Molecule Summary:

ID: FYI-1001717
SMILES: CCCCC1(Cc2cc(OCCCC3SC(=O)NC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001717 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3SC(=O)NC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001717
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.2061   12.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080   10.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    9.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080    8.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    7.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    7.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    5.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0859    2.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8700    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    3.5420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    1.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    1.5669    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    2.9709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7771    6.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0629    5.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6081    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7290    6.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8025    7.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917    8.3168    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001717-3D
FYIcenter.com

 61 64  0  0  1  0  0  0  0  0999 V2000
    2.2918    1.5607    2.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0484    0.8225    1.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5682    1.8174    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650    1.1203   -1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140    2.0213   -2.1792 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9651    2.8668   -2.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    4.1454   -2.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513    5.0910   -2.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301    6.2375   -1.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365    7.0517   -1.6022 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064    8.4542   -1.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0357    9.2229   -2.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    8.9017   -1.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    9.6882   -2.8442 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2854   11.4963   -2.6269 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184   11.6616   -2.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4139   12.7200   -1.6992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5424   10.4638   -2.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8477    9.3593   -2.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3357    8.2334   -2.4381 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0254    6.3954   -0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976    7.7044    0.6015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0620    5.4333   -0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3946    5.5620    0.5769 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    4.3352   -1.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    3.1324   -1.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9187    3.0137   -1.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2854    0.6309   -4.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5954   -0.0538   -2.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2133    2.5294    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9934    4.9484   -2.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
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  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
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  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
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 15 16  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
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 26 27  2  0  0  0  0
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 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
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 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-02, 2470👍, 0💬