Molecule FYI-1002762

A

Molecule Summary:

ID: FYI-1002762
Names:
InChIKey: SKQKVWKKKNIILC-UHFFFAOYSA-N
SMILES: Cc3ccc(S(C)(=O)=Nc2c(C(F)(F)F)c(=O)c1ccccc1c2=O)cc3

Received at FYIcenter.com on: 2023-04-21

Molecule ID: FYI-1002762 Edit

Molecule Structure InChIKey: SKQKVWKKKNIILC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(S(C)(=O)=Nc2c(C(F)(F)F)c(=O)c1ccccc1c2=O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002762
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    4.3876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    6.8124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  7 11  2  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002762-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.7993    0.0084   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3097   -0.1135    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548    0.9737   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331    0.8282   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582   -0.4155    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197   -0.7617    0.2477 S   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2254   -1.3131   -1.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4579   -1.9320    1.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9604    0.5909    0.4436 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1919    0.9518   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6369    2.2158   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4764    3.0518    1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8532    4.3477    0.9375 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2552    2.5656    2.0952 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2079    3.1019    1.5777 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2581    2.7864   -1.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7961    3.8803   -1.3874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0706    2.0080   -2.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9367    2.6060   -3.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6225    1.8129   -4.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5016    0.4239   -4.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6987   -0.1809   -3.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9449    0.6296   -2.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8912    0.0664   -1.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2779   -1.0609   -0.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.4960    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627   -1.3472    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027    1.0320   -0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -0.6498   -0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802   -0.2758    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8682    1.9359   -0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5798    1.6717   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -2.0791   -1.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0197   -0.4732   -2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1712   -1.7921   -1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0198    3.6859   -3.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4567    2.2777   -5.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2298   -0.1836   -5.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5945   -1.2588   -3.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236   -2.4704    0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -2.2056    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 2952👍, 0💬