Molecule FYI-1002705

A

Molecule Summary:

ID: FYI-1002705
Names:
InChIKey: PLOVWYDEURLHBH-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NC4Cc3ccccc3C4

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002705 Edit

Molecule Structure InChIKey: PLOVWYDEURLHBH-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NC4Cc3ccccc3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002705
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    6.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    3.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9785    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 10  1  0  0  0  0
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 22 20  2  0  0  0  0
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 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 24 28  1  0  0  0  0
 24 25  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002705-3D
FYIcenter.com

 53 56  0     0  0  0  0  0  0999 V2000
   -3.0961    1.9156    1.1255 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5118    2.7253   -1.6859 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393    0.6718   -2.3509 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554    3.9371    1.7786 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    4.2973    0.5900 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5264    0.5393    0.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960    2.4688    2.4669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9913    0.2809   -1.1724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0801    2.9400    0.1779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5017   -0.9551   -1.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411   -1.7116   -0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865   -1.8765   -2.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8081   -2.7069   -0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5264   -3.3306    1.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629   -3.5204   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5900   -4.1441    1.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7499   -4.2385    0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486    2.1189    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756    1.4741   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9278    2.4879   -0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6965    3.1328    0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.3172    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    1.1221   -1.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533    0.7965    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1328   -0.5200    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3754   -1.6857    0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3892   -2.9529    0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7609    0.3297   -1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1193    0.3304    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2254   -1.8268    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8784   -3.9001    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
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  1  9  1  0  0  0  0
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  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 21  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 38  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
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 26 27  1  0  0  0  0
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 26 46  1  0  0  0  0
 27 28  2  0  0  0  0
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 28 49  1  0  0  0  0
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 29 50  1  0  0  0  0
 30 32  2  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
$$$$

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2023-04-25, 2166👍, 0💬