Molecule FYI-1008852

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A

Molecule Summary:

ID: FYI-1008852
Names:
InChIKey: MPEOQDWRNNKKCP-UHFFFAOYSA-N
SMILES: CCS/C(=N/c1ccccc1)Nc2ccccc2

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

Molecule ID: FYI-1008852 Edit

Molecule Structure InChIKey: MPEOQDWRNNKKCP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCS/C(=N/c1ccccc1)Nc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008852
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008852-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
   -1.0375   -1.8337   -1.1120 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3727   -0.9251   -0.6196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4055    0.5696   -0.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5472   -0.2358   -0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -0.5485   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730    0.8500    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6838   -0.9482    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720    1.1588   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2372   -2.7678    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450   -0.2661    0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333    1.8408    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4904    0.4870    1.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198    1.4923   -0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697    1.1282    0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8546    0.7658    1.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7839    1.7711   -0.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689   -3.9461    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5013    1.4079    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5428   -1.8858   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772   -2.0351    0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188    1.7467   -0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572   -3.1317    0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6342   -2.1315    1.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7300   -0.8208    0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    2.9265    0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940    0.0039    2.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693    1.7801   -1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7743    1.6592    0.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4122    0.4868    2.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875    2.2715   -1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693   -3.6179   -0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -4.6345   -0.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740   -4.5097    1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5632    1.6259    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 139👍, 0💬