Molecule FYI-1001720

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A

Molecule Summary:

ID: FYI-1001720
SMILES: CCCCC1(Cc2cc(OCCCC3=NOC(=S)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

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

Molecule ID: FYI-1001720 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3=NOC(=S)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001720
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 O   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 S   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
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 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
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 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-1001720-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    4.5583    2.3930    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420    1.0882    0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493   -0.1072    0.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3912   -1.4279    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -2.7205    0.9011 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5872   -4.0027    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4567   -4.0736   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   -4.8880   -2.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547   -4.8033   -3.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   -5.6752   -4.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296   -6.1797   -5.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4874   -7.5838   -5.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6155   -8.0665   -6.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3990   -9.4373   -7.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1752  -10.4460   -6.8184 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6106  -11.5305   -7.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5058  -11.0088   -8.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5390  -11.9193   -9.1336 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3756   -9.7208   -7.8467 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2019   -3.8424   -3.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1716   -3.5033   -4.6057 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4236   -3.0716   -2.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334   -1.8359   -1.9583 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.4456   -2.0809    0.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923   -2.8228    2.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4420   -4.1190    4.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6080   -2.1390    2.9210 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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  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
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  7 24  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 31  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
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 31 59  1  0  0  0  0
M  END
$$$$

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2022-12-02, 844👍, 0💬