Molecule Editor

Molecule ID: FYI-1015679 Edit

Molecule Structure InChIKey: HBLGYLJYLBKBQN-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2cc1[nH]c(S)nc1cc2OC(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1015679
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.7669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015679-3D
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.0222   -0.2277   -0.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900   -0.1862   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -1.4054   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815   -1.3269   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670   -2.2823    0.0088 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6690   -1.6397    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -2.5089    0.0414 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5339   -0.3369    0.0227 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1775   -0.1220    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4598    1.0810   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0563    1.0472   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    2.2895   -0.0487 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    2.4217    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2401    1.9862    1.8274 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377    3.7569    0.6077 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -1.1515   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5799   -2.3633   -0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316   -3.2821    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6938   -3.7641    0.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9944    2.0257   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891    1.9577   -0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 19  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
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$