Molecule FYI-1008683

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A

Molecule Summary:

ID: FYI-1008683
Names:
InChIKey: OZAZJRGTYBNVMJ-UHFFFAOYSA-N
SMILES: O=C(Cc1cccs1)Nc2ccccc2

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

Molecule ID: FYI-1008683 Edit

Molecule Structure InChIKey: OZAZJRGTYBNVMJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc1cccs1)Nc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008683
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.6694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008683-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
    4.1072   -0.5463   -1.0645 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    0.9307   -0.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.8910   -0.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163   -1.1530   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7949   -0.4348    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -0.2309   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616   -0.3853    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516    0.3225    1.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2094   -1.1996    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129    0.9346   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793    0.8386    1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    0.4432   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083   -0.6942    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119    1.4399   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7595    0.6255    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5898   -1.6794   -1.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -1.9167    0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696   -1.8635    0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    0.5076    1.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284   -2.2299    0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    1.6261   -0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104    1.4676    1.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0804    0.6881   -0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3242   -1.3281    0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9091    2.4675   -0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7708    1.0190    0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

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2024-04-29, 755👍, 0💬