Molecule Editor

Molecule ID: FYI-1015657 Edit

Molecule Structure InChIKey: FQTZJZPCOAFEEH-UHFFFAOYSA-N

Molecule Structure SMILES String: N/C(Cc1csc2ccccc12)=N\OC(=O)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015657
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3556    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  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
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015657-3D
FYIcenter.com

 36 38  0     0  0  0  0  0  0999 V2000
   -4.4227   -1.2664    1.5838 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535   -0.6932   -0.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7743    1.5098   -1.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0729   -2.8537   -0.3043 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688   -0.5660   -0.9971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7695   -1.2437   -0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1628    0.1254   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -1.7062   -1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0765    0.2581    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761   -2.0940    0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754    1.2926   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6059    1.5125    1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3799   -1.6874   -0.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989    2.5383   -0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2044    2.6448    0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    0.3859   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    0.4895   -0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835    1.1534   -0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7919   -0.4751    1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8676    1.0556   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761   -0.5728    1.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    0.1925    1.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581   -2.7258   -1.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8658   -1.0819   -2.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554   -3.1654    0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676    1.2365   -1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3153    1.6053    2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938    3.4267   -1.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6060    3.6178    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096   -3.6817   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0098   -2.9157    0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    1.8263   -1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994   -1.0714    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    1.6509   -0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2676   -1.2423    2.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1136    0.1169    1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4 13  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  2  3  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$