Molecule FYI-1009233

A

Molecule Summary:

ID: FYI-1009233
Names:
InChIKey: OAOFZZGPCFYYCR-UHFFFAOYSA-N
SMILES: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=S)Nc1ccc(F)cc1)ccc23

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009233 Edit

Molecule Structure InChIKey: OAOFZZGPCFYYCR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=S)Nc1ccc(F)cc1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009233
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.9746    5.4124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    4.8498    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
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009233-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.0408    0.0229   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    0.0499   -0.0755 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243    1.2922   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198    2.3602   -0.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6584    1.3197   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222    2.4109   -0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3337    0.1011   -0.0342 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893    0.1312   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6415   -1.1413   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3428   -2.3609    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6613   -3.5827    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5598   -5.0751    0.2483 S   0  0  3  0  0  0  0  0  0  0  0  0
    6.5914   -4.6358    1.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6055   -6.3931    1.1134 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2984   -5.6400   -1.1484 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5100   -6.3783   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9004   -7.2029   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0930   -7.9283   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9006   -7.8544   -1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0552   -8.5312   -1.2650 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5206   -7.0919   -2.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3207   -6.3716   -2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2765   -3.6039   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5704   -2.4027   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333   -1.1628   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083    1.0262   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -0.4798    0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572   -0.5034   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799    1.1520   -0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781   -0.4041   -0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1490   -0.3289    0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4257   -2.3872    0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300   -4.9244   -1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2897   -7.2916    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831   -8.5412    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1590   -7.0619   -3.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0348   -5.7914   -3.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252   -4.5409   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -2.4750   -0.1594 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 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  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
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  2  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1429👍, 0💬