Molecule Editor

Molecule ID: FYI-1008687 Edit

Molecule Structure InChIKey: HQAVWQUPULBREU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNS(=O)(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008687
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.0124    0.0000 O   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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   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  4  2  0  0  0  0
  7  4  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
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008687-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    1.0274   -0.6372   -0.8922 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641   -2.0679   -1.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085    0.2322   -2.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571   -0.3315    0.3571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7107   -1.8766    1.2847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5445   -0.0775   -0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2457   -0.7337    0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556    1.0656    0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0940    1.0494   -0.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -0.2633    1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3445    1.5200   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688    1.2570    1.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0459    0.8636    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952   -1.0514    1.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    1.7571   -0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373    1.2936    1.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5839    1.5967   -1.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538   -0.7648    1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7723    2.3983   -1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9698    0.5938    2.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5036    1.0326    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9201    2.2896    1.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0195    1.2303    0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.3340    2.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1964   -2.2393    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$