Molecule Editor

Molecule ID: FYI-1015800 Edit

Molecule Structure InChIKey: FAPYZFIDWLHGDP-CHWSQXEVSA-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-1015800
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    8.6746    7.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    7.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    5.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296    4.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9393    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1067    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2393    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5948    4.6185    0.0000 N   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  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  2  1  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 22 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015800-3D
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
    1.1208    0.1864    0.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046    0.0755    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9923   -1.1148    0.4977 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595   -2.3024    1.0030 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2825   -2.5553    2.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489   -3.4395    1.6205 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6543   -3.3434    1.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3758   -3.0449    2.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   -2.8836    2.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4583   -3.0346    1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7707   -3.3619    0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855   -3.5198    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    1.2185   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607    2.5352   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015    3.3169   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    4.7454   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6535    5.5181   -1.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    6.9170   -1.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253    7.1682   -0.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141    5.7308   -0.3155 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6692    2.4814   -0.8669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3431    1.1726   -0.5230 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748   -1.1224    0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775   -2.5770    0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611   -2.9750    2.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7409   -1.8361    3.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7566   -4.4388    1.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493   -2.9141    3.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2948   -2.6291    3.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5354   -2.8970    1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3083   -3.4827   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8581   -3.7640   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    2.8552    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5791    5.1083   -1.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0304    7.7009   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    8.1255   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  6  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  6  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$