Molecule Editor

Molecule ID: FYI-1016286 Edit

Molecule Structure InChIKey: KLRQENFPSBYHCX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc([S+](c1ccc(C)c(F)c1)c2ccc(C)c(F)c2)cc3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1016286
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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
    9.6996    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  8 10  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  9 19  1  0  0  0  0
  9 15  2  0  0  0  0
  2 20  1  0  0  0  0
 12 21  1  0  0  0  0
 17 22  1  0  0  0  0
  3 23  1  0  0  0  0
 16 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016286-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.2048    2.1016    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    1.0500    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7825    0.9902    1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7798    0.0025    1.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -0.9246    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2355   -2.1108   -0.0994 S   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1031   -2.9271    1.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7615   -2.5611    2.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6923   -3.3707    3.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9461   -4.5501    3.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8857   -5.4543    5.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563   -4.8924    2.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5236   -6.0151    2.6279 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -4.0991    1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6584   -1.0139    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101    0.3213   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7449    1.1362   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9788    0.6236    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2128    1.4693   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0411   -0.7132    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2215   -1.2415    0.8066 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9069   -1.5304    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526   -0.8733   -0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431    0.1005   -0.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9065    0.1350   -1.9757 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365    2.7878    0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1091    2.6967   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    1.6371    0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462    1.7256    1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989    0.0112    1.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3641   -1.6585    2.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2469   -3.0752    4.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4843   -5.0626    5.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529   -5.5555    5.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2762   -6.4448    4.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7985   -4.4295    0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6901    0.7540   -0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6536    2.1667   -0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9821    2.4892   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6759    1.5386    0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9299    1.0470   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0273   -2.5762    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0051   -1.5672   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$