Molecule FYI-1001779

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Molecule Summary:

ID: FYI-1001779
SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F

Received at FYIcenter.com on: 2022-11-30

Molecule ID: FYI-1001779 Edit

Molecule Structure SMILES String: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001779
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   11.3778    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3778    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8654    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5654    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5281    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5281    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3156    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1693    6.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6041    9.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    9.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979    8.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305    7.5202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   11.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   11.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   13.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   13.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388   12.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   15.2179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5281    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
 33  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001779-3D
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.7451    0.6299    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102   -0.7322    0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -0.9330    1.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202   -2.5528    1.4679 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -3.5571    1.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0649   -2.5327    0.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4130   -2.6224    2.7783 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -2.8254    2.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3304   -4.1143    2.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722   -4.2918    1.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4501   -3.1495    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9341   -1.8695    1.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034   -1.7035    2.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7175   -3.2338    1.2331 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295   -5.6532    1.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4986   -6.5172    1.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6370   -5.9413    1.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3915   -5.3608    2.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6554   -5.8887    2.9127 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7422   -6.8171    1.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5079   -6.8877    1.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4114   -7.7952    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5365   -8.5646   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6962   -8.3621    0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8573   -7.5102    1.6402 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5001   -9.5321   -1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7227   -9.2942   -2.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6722  -10.2152   -3.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4107  -11.3910   -3.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2024  -11.6501   -2.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2422  -10.7306   -1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3414  -12.5288   -4.7046 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.0581   -3.3667    3.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5789   -1.0070    1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052   -0.7041    2.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1502   -4.6067    3.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4312   -5.6476    3.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641   -7.8928   -0.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6087   -8.9124    0.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1448   -8.3772   -2.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0530  -10.0046   -4.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7847  -12.5659   -2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8556  -10.9809   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
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  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
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 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 26 27  2  0  0  0  0
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 27 48  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-28, 1923👍, 0💬