Molecule FYI-1015799

A

Molecule Summary:

ID: FYI-1015799
Names:
InChIKey: FAPYZFIDWLHGDP-OLZOCXBDSA-N
SMILES: O=C(N[C@H]1C[C@@H]1c2ccccc2)c4cc(c3cccs3)on4

Received at FYIcenter.com on: 2025-10-14

Molecule ID: FYI-1015799 Edit

Molecule Structure InChIKey: FAPYZFIDWLHGDP-OLZOCXBDSA-N

Molecule Structure SMILES String: O=C(N[C@H]1C[C@@H]1c2ccccc2)c4cc(c3cccs3)on4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015799
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    5.5497    7.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    7.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2047    4.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8602    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4275    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5602    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6928    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602    2.1544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    4.6185    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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  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
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  6  7  1  1  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 12  7  1  0  0  0  0
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 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 22 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015799-3D
FYIcenter.com

 36 39  0     1  0  0  0  0  0999 V2000
    6.1718   -0.7841    0.4139 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693    0.9574   -0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239   -1.4753    0.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789   -1.3044   -0.3852 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505   -1.6264    0.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896   -0.9059    0.6156 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2879   -1.2425   -0.5505 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1860   -2.2939    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3689   -0.0248    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2048    1.3591    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6368   -0.5839    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.1787   -0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3088    2.1842    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7408    0.2410    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939   -0.3988   -0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5768    1.6252   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    0.5580   -0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528   -0.1702   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8888    0.2968    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3323    1.5911   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7440    1.6967    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3258    0.4793    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2212    1.8049    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8010   -1.6556    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1811    3.2619    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7292   -0.1935   -0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4366    2.2676   -0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3425    1.6192   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6916    2.4356   -0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3045    2.6187   -0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733    0.2713    0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  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
 10 28  1  0  0  0  0
 11 14  2  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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2025-10-14, 920👍, 0💬