Molecule FYI-1008482

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Molecule Summary:

ID: FYI-1008482
Names:
InChIKey: GJXVKIMKTGWGSP-UHFFFAOYSA-N
SMILES: CSc1cc(Br)ncn1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008482 Edit

Molecule Structure InChIKey: GJXVKIMKTGWGSP-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1cc(Br)ncn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008482
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 S   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008482-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    3.3090   -1.0564    0.0001 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548   -1.2576    0.0003 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8328    1.0084   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740    1.1297    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281   -0.3368   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4754   -1.0119   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6049   -0.2192   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403    1.6697    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4878    0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5313   -2.0944   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2856    2.7514    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4872   -0.3695    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881    0.6944   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3880    0.6947    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1335👍, 0💬