Molecule FYI-1002687

A

Molecule Summary:

ID: FYI-1002687
Names:
InChIKey: SFFZOXDGXIAIBL-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(Sc1ccccc1)c(F)c2Sc3ccccc3

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

Molecule ID: FYI-1002687 Edit

Molecule Structure InChIKey: SFFZOXDGXIAIBL-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(Sc1ccccc1)c(F)c2Sc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002687
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   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
    6.0623    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    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 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 11 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002687-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.0445    0.6014    0.8298 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855   -0.0304    0.0687 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7166   -0.1272    1.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    0.7919   -1.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -1.6261   -0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4852   -2.7329   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298   -2.6018    0.8105 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572   -4.0263   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619   -5.0596    0.1369 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474   -4.2519   -1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -5.9163   -1.5302 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176   -6.3944   -2.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6603   -5.7482   -4.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426   -6.1860   -5.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -7.2806   -5.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9443   -7.9377   -3.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588   -7.4969   -2.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   -3.1361   -1.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -3.3444   -2.4301 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -1.8113   -1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4291   -0.5016   -1.8330 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091   -0.0070   -3.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450    1.3027   -3.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9424    1.7450   -4.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197    0.8864   -5.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4984   -0.4117   -5.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967   -0.8550   -4.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.9065    1.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4600    1.3381    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511   -4.9171   -4.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662   -5.6834   -6.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5407   -7.6293   -6.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898   -8.8024   -3.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491   -8.0363   -1.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    1.9978   -2.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822    2.7627   -5.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7174    1.2322   -6.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794   -1.0750   -6.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3025   -1.8574   -4.4361 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
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 26  2  0  0  0  0
 25 37  1  0  0  0  0
 26 27  1  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1572👍, 0💬