Molecule FYI-1002703

A

Molecule Summary:

ID: FYI-1002703
Names:
InChIKey: IQUVEJYATXAFNG-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NC3CCCCC3

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002703 Edit

Molecule Structure InChIKey: IQUVEJYATXAFNG-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(SCCc1ccccc1)c(F)c2NC3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002703
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.1244    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    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
    1.2125    4.2000    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
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002703-3D
FYIcenter.com

 52 54  0     0  0  0  0  0  0999 V2000
   -3.7004   -0.5816   -1.1538 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -2.6013    2.0141 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.0407    2.3036 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464   -3.1823   -1.4372 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -4.0620   -0.0940 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4277   -1.7582   -1.6031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3784    0.4358   -0.3661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816    0.9614    0.9654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9636    0.1637   -2.5018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560    2.0689    1.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    3.3068    1.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2557    2.3493    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560    3.9243    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941    2.9711   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319    4.2145   -0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6851   -0.2999    0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905   -1.1172   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5633   -0.7520    1.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -2.0214    1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740   -2.3866   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522   -2.8387    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6293   -1.3591    1.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760   -1.2992    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9185   -0.2927   -0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5427    1.0161   -0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579   -0.6717   -0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5062    1.9461   -1.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2215    0.2581   -0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8457    1.5670   -1.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9137    1.8494    2.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679    3.0576    2.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264    4.0617    2.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3190    1.4544    0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4613    3.0516    0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0443    3.2365   -1.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0542    4.5944   -1.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050    1.1928    0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5601   -1.6236    2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3354   -0.3766    1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.3211   -3.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0398    1.1852   -2.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9498   -1.0613   -0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789   -2.2894   -0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5043    1.3242   -0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5633   -1.6878   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2134    2.9650   -1.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646   -0.0368   -0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5961    2.2909   -1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  2 22  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 41  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 28  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 370👍, 0💬