Molecule FYI-1003600

A

Molecule Summary:

ID: FYI-1003600
Names:
InChIKey: IWLUZTZPGIBSPO-UHFFFAOYSA-N
SMILES: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncsn3)cc4C#N

Received at FYIcenter.com on: 2023-07-10

Molecule ID: FYI-1003600 Edit

Molecule Structure InChIKey: IWLUZTZPGIBSPO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncsn3)cc4C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003600
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6765    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5967    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5593    5.3829    0.0000 S   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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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  3  0  0  0  0
  4 22  1  0  0  0  0
 17 23  1  0  0  0  0
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 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003600-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.5126   -5.3234    3.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695   -5.9667    1.9070 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161   -7.1536    1.8591 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174   -7.5321    0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -6.5825   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0457   -5.5661    0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -4.4233    0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776   -4.6115   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -3.6371   -1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529   -3.8971   -2.3733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055   -2.4677   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0914   -2.8556    1.9802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -1.5181    2.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384   -0.6505    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055    0.7232    1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    1.2285    2.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5502    3.0000    2.8036 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    3.5237    1.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295    3.2213    4.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239    3.5603    2.7117 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313    2.8606    1.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0844    2.2786    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7011    0.7672    4.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 12 39  1  0  0  0  0
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 15 29  2  0  0  0  0
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 18 28  2  0  0  0  0
 19 20  2  0  0  0  0
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 28 29  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1495👍, 0💬