Molecule FYI-1002699

A

Molecule Summary:

ID: FYI-1002699
Names:
InChIKey: WZQASQFQJUZSSE-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NCc3ccccc3

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

Molecule ID: FYI-1002699 Edit

Molecule Structure InChIKey: WZQASQFQJUZSSE-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NCc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002699
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.1244    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    5.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002699-3D
FYIcenter.com

 49 51  0     0  0  0  0  0  0999 V2000
   -3.6602   -1.8739    0.6488 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3224   -2.2500   -1.3839 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    0.0559   -1.7166 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -4.1425    0.9777 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -4.3218    0.1157 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793   -0.9111   -0.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1618   -3.2325    0.7838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    0.2957   -0.8665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4283   -1.2136    2.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -0.8858   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068   -1.9529    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094   -0.9758   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308   -2.1330   -0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    1.5997   -0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2665   -3.1100    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5916   -0.7192   -0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926   -0.8572   -0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523   -3.2001   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6189    2.6008   -0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2841    0.3976   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3772    3.2776   -1.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8205    2.8526    1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3476    1.6611   -0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8685    0.1783    1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3373    4.2065   -0.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806    3.7814    1.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9956    2.7054   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163    1.2224    1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5799    2.4860    1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8240   -0.8009    1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9384    3.9767    2.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445    3.6894   -0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9708    1.0519    2.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2867    5.1811    0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    3.2991    1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
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  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 19  1  0  0  0  0
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 14 33  1  0  0  0  0
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 17 37  1  0  0  0  0
 19 21  2  0  0  0  0
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 21 38  1  0  0  0  0
 22 26  2  0  0  0  0
 22 39  1  0  0  0  0
 23 27  1  0  0  0  0
 23 40  1  0  0  0  0
 24 28  2  0  0  0  0
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 25 29  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END
$$$$

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2023-04-25, 1496👍, 0💬