Molecule Editor

Molecule ID: FYI-1016221 Edit

Molecule Structure InChIKey: MHTSJSRDFXZFHQ-UHFFFAOYSA-M

Molecule Structure SMILES String: [S-]c1cccc2cccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1016221
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    2.1000    0.0000 S   0  5  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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016221-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    1.9734   -2.4239    0.0002 S   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9091   -1.4439   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4171    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0152   -0.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431    1.9410   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    1.1950    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3490   -0.7145    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009    1.6347   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3039    0.3052    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137    0.1594    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -1.1312   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    2.9851   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478    2.2221    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6395    2.4304   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3707    0.0909    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7789    0.3578    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8994   -1.9812   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$