Molecule FYI-1013240

A

Molecule Summary:

ID: FYI-1013240
Names:
InChIKey: RMIMFKCKBLMFTN-UHFFFAOYSA-N
SMILES: O=C(Nc2nc1c(Cl)cc(Cl)cc1s2)C(Cl)(Cl)Cl

Received at FYIcenter.com on: 2024-11-27

Molecule ID: FYI-1013240 Edit

Molecule Structure InChIKey: RMIMFKCKBLMFTN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc1c(Cl)cc(Cl)cc1s2)C(Cl)(Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1013240
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.5655    3.5958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    3.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1286    1.3430    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.0207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    4.8083    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013240-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
   -2.2025   -2.9704    0.0020 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9008    0.9944   -0.0052 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4943    1.1887   -1.4433 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4153   -1.1689   -0.0257 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4698    1.1750    1.4580 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492    1.9051   -0.0003 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6219   -1.6050    0.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2281   -0.6646    0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8192    0.6010    0.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5855   -0.3782    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9060    0.9828   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574    0.4547    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6358   -1.3216    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367    1.4313   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629   -0.8822   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2571    0.4768   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352   -0.3946    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2515    0.1758    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    2.4944   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339    1.5683    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7681   -1.6142   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1249👍, 0💬