Molecule FYI-1009275

A

Molecule Summary:

ID: FYI-1009275
Names:
InChIKey: MWDYAZAIGDMMMJ-UHFFFAOYSA-N
SMILES: O=S(=O)(Nc1cccc2ccccc12)c4ccc3CCCCc3c4

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009275 Edit

Molecule Structure InChIKey: MWDYAZAIGDMMMJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(Nc1cccc2ccccc12)c4ccc3CCCCc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009275
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.7622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   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
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  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
 14  5  1  0  0  0  0
 14  9  2  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009275-3D
FYIcenter.com

 43 46  0     0  0  0  0  0  0999 V2000
    0.5891    2.8710    0.0970 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4665    3.8731    1.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127    3.3112   -1.2926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9885    1.9206    0.4242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5242   -1.9389   -1.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5817   -1.5689   -0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6758   -0.7196   -1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9221   -1.1038    0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001    0.0482   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8146   -0.1038    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1584    0.9762   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128    1.7256    0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502    0.6488    1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.5604    1.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479    0.6824   -0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0765   -0.5566    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -1.7425   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3777    0.7591   -1.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   -0.6489    1.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720   -1.6505   -1.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394   -0.4071   -2.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1705   -2.9855    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784   -1.8922    2.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406   -3.0584    1.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9998   -2.3331   -2.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838   -2.7355   -1.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2286   -2.4293   -0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2221   -0.7725   -0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2661   -0.0377   -2.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153   -1.0516   -2.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6919   -0.6712    1.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973   -1.9710    1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7059    1.1036   -1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8004    0.5255    2.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9693    2.1233    2.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548    1.9453    1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    1.7154   -2.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050    0.2304    2.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6024   -2.5489   -2.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7233   -0.3499   -3.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939   -3.9099   -0.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972   -1.9501    3.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874   -4.0261    2.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
$$$$

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2024-05-16, 199👍, 0💬