Molecule FYI-1016692

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Molecule Summary:

ID: FYI-1016692
Names:
InChIKey: DSCVSUMCXVBBHV-UHFFFAOYSA-N
SMILES: CC(=O)c2cccc(NC(=S)Nc1ccc(F)cc1)c2

Received at FYIcenter.com on: 2026-02-21

Molecule ID: FYI-1016692 Edit

Molecule Structure InChIKey: DSCVSUMCXVBBHV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c2cccc(NC(=S)Nc1ccc(F)cc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016692
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0623    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   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
    4.8497    2.8000    0.0000 N   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
    2.4249    2.8000    0.0000 C   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
    1.2124    0.7000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  2  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 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016692-3D
FYIcenter.com

 33 34  0     0  0  0  0  0  0999 V2000
    1.5166    3.0057   -0.8586 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9487   -1.3721    0.3358 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1581   -2.8641   -0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511    2.2098   -0.3805 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092    0.6315    0.0309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0363    1.4093   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603   -0.7292   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0751    0.0705   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0830    1.9482    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2067   -0.1901    0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    0.1165    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1681    1.1484    1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765    1.8692   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013   -2.1248   -0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753   -0.6904    1.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    0.4349   -0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7731   -1.1957    1.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3342   -0.0706   -0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026   -0.8859    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611   -2.7213   -1.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846   -0.3262   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0643    2.9897    1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1395    3.2071   -0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0629   -0.7927    0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9826    1.5682    1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1566    0.1257    0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589   -0.9365    1.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7751    0.9363   -1.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603   -1.8304    2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0496    0.1439   -1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210   -2.6539   -0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881   -2.2195   -2.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2685   -3.7805   -1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 19  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 25  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
$$$$

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2026-03-22, 361👍, 0💬