Molecule Editor

Molecule ID: FYI-1014328 Edit

Molecule Structure InChIKey: JCZIPEBVJPAQDU-UHFFFAOYSA-N

Molecule Structure SMILES String: C1SCC2=NO[S+]3ON=C1C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014328
FYIcenter.com

 11 13  0  0  0  0  0  0  0  0999 V2000
    4.3123    1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6004    3.0440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    3.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    3.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    4.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    1.8139    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    0.8145    0.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469    1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    2.2421    0.0000 C   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  1  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
 11 10  1  0  0  0  0
 11  4  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014328-3D
FYIcenter.com

 16 18  0  0  1  0  0  0  0  0999 V2000
    1.1943    0.6290    0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940    2.4041    1.0309 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    3.1836   -0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997    2.3804   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    2.7732    0.2359 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417    1.6675    0.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0378    0.3575   -0.5521 S   0  3  3  0  0  0  0  0  0  0  0  0
    4.6462   -0.5905    0.6997 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662   -0.6292    1.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279    0.2466    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981    0.9883   -0.6717 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6348    0.4825   -0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7487    0.0173    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429    4.2164    0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668    3.1787   -1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9801    0.8971   -1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$