Molecule Editor

Molecule ID: FYI-1016195 Edit

Molecule Structure InChIKey: HCNAJTACWLAWAR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCSC(=N)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1016195
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016195-3D
FYIcenter.com

 29 28  0     0  0  0  0  0  0999 V2000
   -2.8818   -0.8732    0.4749 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0516   -0.4538   -0.9606 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3874    1.3254    0.4437 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081   -0.4508    0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    0.2453   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    0.3736   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1494   -0.5712    0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9267   -0.3374    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    0.1444   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1227    0.4628   -0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2304    0.1349   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640   -0.6101    1.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -1.4391   -0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519    1.2172    0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0622    0.4497   -1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    1.3553    0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380    0.5492   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1109   -1.5335   -0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -0.7910    1.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9386   -1.3259   -0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0165   -0.4948    1.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987    1.1021    0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    0.3464   -1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1586    1.4471    0.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    0.6082   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0532   -0.0632   -0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8618    0.0314   -1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8738   -1.3922   -1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6409    1.5132    1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$