Molecule FYI-1013109

A

Molecule Summary:

ID: FYI-1013109
Names:
InChIKey: IQTLBCSOERVARV-UHFFFAOYSA-N
SMILES: N=S(=O)(Cc1ccc(F)cc1Cl)c3nc2ccccc2s3

Received at FYIcenter.com on: 2024-11-13

Molecule ID: FYI-1013109 Edit

Molecule Structure InChIKey: IQTLBCSOERVARV-UHFFFAOYSA-N

Molecule Structure SMILES String: N=S(=O)(Cc1ccc(F)cc1Cl)c3nc2ccccc2s3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013109
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6038    2.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9161    2.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1498    4.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0712    5.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7590    4.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8828    0.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4621    4.7315    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0434    1.0464    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 10 18  2  0  0  0  0
 10 19  2  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013109-3D
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.8902    0.3531    0.0513 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963    0.0029    0.0615 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.9720   -1.2222    0.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1202    0.4063   -1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783   -0.4525   -2.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3381    0.0368   -3.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970   -0.7282   -4.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.9869   -4.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5729   -2.7205   -5.4908 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3119   -2.4946   -3.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9571   -1.7296   -2.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -2.4060   -2.2113 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    1.2936    1.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076    2.2120    0.7499 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    2.9900    1.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475    4.0580    1.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3857    4.7508    3.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    4.4019    4.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878    3.3516    4.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    2.6534    3.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5293    1.3096    2.7447 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584   -0.4066   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017    0.2685   -1.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272    1.4642   -1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346    1.0208   -3.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822   -0.3510   -4.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6739   -3.4815   -4.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751    4.3305    0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1057    5.5661    3.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060    4.9480    5.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2638    3.0786    5.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1020👍, 0💬