Molecule Editor

Molecule ID: FYI-1008486 Edit

Molecule Structure InChIKey: BNXUBXYRKQZNMR-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c4ccc(CCn3c(SCC(=O)Nc1cccc(F)c1)nc2ccccc2c3=O)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1008486
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   14.5492    7.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    0.0000    0.0000 O   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
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 35 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008486-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    9.7203   -1.2848    1.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1213   -1.8004    1.1813 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4796   -0.9893    0.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2038   -3.2394    1.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064   -1.3515    2.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5440   -0.0203    3.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0567    0.3155    4.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227   -0.6749    5.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8980   -0.3025    6.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3972   -0.0069    6.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6965    0.6159    7.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569    1.4369    7.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    0.6006    6.6293 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181    1.8426    5.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    1.9638    4.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332    1.5142    3.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1687    2.8033    3.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    2.7902    1.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051    2.9640    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9622    3.1421    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4091    3.1755    2.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$