Molecule FYI-1001288

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A

Molecule Summary:

ID: FYI-1001288
SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)[S@@](=O)C(F)(F)F)N)Cl)C(F)(F)F

Received at FYIcenter.com on: 2022-04-30

Molecule ID: FYI-1001288 Edit

Molecule Structure SMILES String: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)[S@@](=O)C(F)(F)F)N)Cl)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001288
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    9.4607    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0301    3.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2072    4.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8149    4.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    2.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0683    1.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4989    0.5298    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    3.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    1.5826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7028    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.9659    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.0535    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5659    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.4784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    5.2048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919    5.3529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    3.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2761    4.7726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8147    3.5266    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5687    1.9880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  3  0  0  0  0
 15 10  1  1  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22  4  1  0  0  0  0
 23  2  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001288-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.5622   -1.3660    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5398   -1.9017   -0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134   -1.0333   -1.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177    0.3426   -1.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597    0.8885   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    0.0120    0.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    0.5123    2.6081 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0155    2.2934    0.0965 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921    2.9963    1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087    4.3314    0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3386    4.3793   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    3.1582   -0.7632 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7629    5.5236   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626    6.4977   -1.6082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0014    5.6584    1.8181 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6005    5.0721    3.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    6.5333    2.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    5.8940    1.7302 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    7.7686    1.6293 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    6.7103    3.5248 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5302    2.4354    1.9961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820    1.2423   -2.8287 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7868   -3.3713   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043   -4.0762    0.3661 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579   -3.9785   -1.4012 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -3.5870   -1.5635 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518   -2.0274    1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2853   -1.4357   -2.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171    1.4705    2.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8399    3.0315    2.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  2  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 639👍, 0💬