Molecule FYI-1016364

A

Molecule Summary:

ID: FYI-1016364
Names:
InChIKey: FYZNXORTDIVQOW-PQPQYNOBSA-N
SMILES: C/C(=N\\N=C/1SCC(=O)N1CCc2ccccc2)c3cccc(Br)c3

Received at FYIcenter.com on: 2025-12-09

Molecule ID: FYI-1016364 Edit

Molecule Structure InChIKey: FYZNXORTDIVQOW-PQPQYNOBSA-N

Molecule Structure SMILES String: C/C(=N\N=C/1SCC(=O)N1CCc2ccccc2)c3cccc(Br)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016364
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.0655    5.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    6.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.6415    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    6.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    6.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    7.5108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1306    3.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    5.5492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1906    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    9.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  8  2  0  0  0  0
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 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016364-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.9898   -1.6769   -2.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8907   -0.7421   -1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467    0.3286   -1.0152 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4062    0.5581   -2.1531 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4787    1.4625   -2.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.6259   -3.5920 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128    2.8948   -2.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0501    3.2172   -1.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    4.1849   -0.9118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565    2.3537   -1.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7911    2.6121    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085    3.0647    1.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656    2.0933    1.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543    0.7725    2.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476   -0.1258    2.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    0.2909    2.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4038    1.6066    2.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032    2.5051    1.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6605   -1.0990    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4343   -2.2632    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1022   -2.5820    1.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9959   -1.7451    2.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2301   -0.5870    2.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625    0.5482    4.0099 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -0.2599    1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3190    1.7174    0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5984    4.0706    1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

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