Molecule Editor

Molecule ID: FYI-1015801 Edit

Molecule Structure InChIKey: FAPYZFIDWLHGDP-STQMWFEESA-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-1015801
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  1  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  1  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-1015801-3D
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
    2.0210   -0.3385   -1.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.2172   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9839    1.5572   -0.7611 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617    2.3664   -0.8260 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2272    3.5316   -1.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7607   -0.2736 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2338    4.5866    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109    4.0972    1.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    4.9263    2.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167    6.2690    1.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1884    6.7816    0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979    5.9468    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2287   -0.5274   -0.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3945   -1.9205   -1.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890   -2.2039   -0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3612   -3.4753   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875   -3.7063   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0101   -5.0974   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9236   -5.8858   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5331   -4.9535   -0.9315 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2796   -1.0141   -0.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699    0.0310   -0.4709 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080    1.9433   -0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0716    1.7660   -0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235    3.8162   -2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    3.6624   -2.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062    3.9736    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014    3.0618    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    4.5250    2.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170    6.9181    2.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232    7.8313    0.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361    6.3689   -0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626   -2.6180   -1.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3986   -2.9162   -0.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9881   -5.4989   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8758   -6.9657   -0.6427 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 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  3  1  0  0  0  0
  4 24  1  1  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  1  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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 16 20  1  0  0  0  0
 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
$$$$