Molecule Editor

Molecule ID: FYI-1009247 Edit

Molecule Structure InChIKey: XYTSLADCYXPRPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=O)NNC(=S)NCOc1ccccc1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009247
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 21  8  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009247-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9434   -0.1022   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -0.0758    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928    1.1609    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    2.2225    0.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    1.1944    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0579    2.2816    0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003   -0.0238    0.5110 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6425    0.0207    0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5296   -1.2631    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2342   -2.4847    0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -3.7003    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -5.1986    0.1432 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -5.1132   -0.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8933   -5.3976    1.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -6.4901   -0.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222   -6.9331    0.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402   -7.6835    1.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8504   -7.3963    3.0996 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975   -8.5356    1.5776 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5665   -9.0674    2.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9447  -10.2455    3.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6141  -10.8275    4.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396  -10.1470    5.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1114  -10.8411    6.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9482  -12.2169    6.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0939  -12.8960    5.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4219  -12.2015    4.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -3.7080   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -2.5109   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390   -1.2816    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035    0.8986   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913   -0.6912    0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010   -0.5372   -1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0162    1.0450    0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1325   -0.4296   -0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127   -0.5158    1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -2.5159    0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0971   -7.2275   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548   -6.2101    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242   -8.9783    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -8.2822    3.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5597   -9.3096    2.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752   -9.0721    5.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7586  -10.3010    6.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4780  -12.7549    7.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9531  -13.9681    5.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7567  -12.7408    3.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -4.6158   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329   -2.5705   -0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
$$$$