Molecule FYI-1002708

A

Molecule Summary:

ID: FYI-1002708
Names:
InChIKey: JCQTXFMFUISIJQ-UHFFFAOYSA-N
SMILES: CC(C)Nc2c(F)c(SCCc1ccccc1)c(F)c(F)c2S(N)(=O)=O

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

Molecule ID: FYI-1002708 Edit

Molecule Structure InChIKey: JCQTXFMFUISIJQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Nc2c(F)c(SCCc1ccccc1)c(F)c(F)c2S(N)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002708
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.1876    0.0000 O   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  2  1  0  0  0  0
  5  4  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  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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
 17 12  1  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  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 23  2  0  0  0  0
 26 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002708-3D
FYIcenter.com

 45 46  0     0  0  0  0  0  0999 V2000
    4.4837   -0.1658   -0.8645 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9977    1.8759    1.5424 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -0.9380    1.5031 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816    2.6038   -0.8245 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1426    3.4947    0.1976 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3554   -1.5734   -1.2073 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    0.7937   -1.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3726   -1.8735    0.4805 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5058   -0.0167    0.4951 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3708   -2.9174    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735   -0.5244    0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9596    0.3740   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665   -0.0669    0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5457    1.2891    0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388    1.7299   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469   -2.8275   -0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565   -4.2716    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319    2.1874    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2059    0.9402    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6522    1.2600    0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6902    0.4863    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1985    1.0025   -1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1411   -0.7451    0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1580    0.2873   -1.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1004   -1.4603   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6089   -0.9442   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7198   -2.8561    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301   -2.1559    0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873   -2.8677   -1.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0445   -1.9096   -0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -3.6648   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358   -4.4542   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490   -4.3265    1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211   -5.0827    0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.1327    0.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454    1.1670   -0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8038    1.0677    2.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8441    2.3335    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2046    0.7363    0.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317   -0.8813    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8533    1.9598   -1.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7509   -1.1587    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5534    0.6889   -2.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4511   -2.4195    0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3557   -1.5013   -1.8190 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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 13  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 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
 23 42  1  0  0  0  0
 24 26  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

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2023-04-25, 382👍, 0💬