Molecule FYI-1002706

A

Molecule Summary:

ID: FYI-1002706
Names:
InChIKey: PQZKGMWJGKKWFG-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NCCc3ccccc3

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

Molecule ID: FYI-1002706 Edit

Molecule Structure InChIKey: PQZKGMWJGKKWFG-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NCCc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002706
FYIcenter.com

 31 33  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
    4.8499    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    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
 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  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  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002706-3D
FYIcenter.com

 52 54  0     0  0  0  0  0  0999 V2000
    4.3631    1.2854   -0.8269 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694    3.0248    1.4657 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447    0.2963    1.5654 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567    3.9710   -0.9238 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    4.7326    0.0487 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3424   -0.1426   -1.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7141    2.2237   -1.8815 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -0.5097    0.5948 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3633    1.5763    0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    0.8091    0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898   -1.6376    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    1.7416   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878   -2.9315    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7382    1.1998    0.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173    2.5232    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    3.0648   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342   -4.1466    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374    3.4557    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3986    1.9551    0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8671    2.1839    0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8397    1.2980    0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800   -4.8840    1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9903   -4.5453   -1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3782    1.7166   -1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2002    0.0607    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817   -6.0205    1.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920   -5.6817   -1.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622   -6.4193   -0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2773    0.8978   -1.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6378   -0.3396   -1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1032    2.6775   -1.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7857   -0.2773    1.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0054   -6.5944    1.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542   -5.9920   -2.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840   -7.3039   -0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6962    1.2233   -2.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3795   -1.7219    0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3375   -0.9774   -1.7421 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 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 36  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 13 17  1  0  0  0  0
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 13 35  1  0  0  0  0
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 17 22  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 41  1  0  0  0  0
 23 27  2  0  0  0  0
 23 42  1  0  0  0  0
 24 29  1  0  0  0  0
 24 45  1  0  0  0  0
 25 30  2  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
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 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 31  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 359👍, 0💬