Molecule Editor

Molecule ID: FYI-1002261 Edit

Molecule Structure InChIKey: ABPJHZXPRXSEKC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(C3=C(c1ccccc1)N(c2ccccc2)C(=S)NC3c4ccccc4)c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002261
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.5895    2.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    2.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9826    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1791    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2023    1.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5720    2.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5720    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9826    6.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1791    6.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    6.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5720    8.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    8.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1791    8.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    6.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    8.2896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    6.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    2.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9826    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    3.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3800    2.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1791    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9826    0.6908    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  2  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  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28  2  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002261-3D
FYIcenter.com

 55 59  0  0  1  0  0  0  0  0999 V2000
    2.4205   -0.4355    1.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784    0.2381    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -0.2291   -1.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942   -1.0611   -1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6952   -1.7132    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2072   -2.9935    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -3.6750    1.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6334   -3.0949    2.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824   -1.8024    2.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786   -1.0955    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9895   -1.4173   -2.4310 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1858   -2.2684   -2.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3767   -3.2534   -3.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751   -3.9756   -3.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5767   -3.7987   -2.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3935   -2.8725   -1.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2343   -2.0890   -1.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797   -0.8422   -3.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3469   -0.7903   -5.1577 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -0.1452   -3.6576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    0.1940   -2.5375 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1707   -0.2617   -2.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565   -1.3111   -2.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7758   -1.6490   -2.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -0.9718   -3.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8954    0.0430   -4.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    0.3987   -3.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643    1.4936   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1737    3.6841   -0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 55  1  0  0  0  0
M  END
$$$$