Molecule FYI-1002869

A

Molecule Summary:

ID: FYI-1002869
Names:
InChIKey: QHYFIYDKTOBCIG-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3cc(C(=O)NCc1ccccc1)c(Sc2ccccc2)cc3Cl

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002869 Edit

Molecule Structure InChIKey: QHYFIYDKTOBCIG-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc(C(=O)NCc1ccccc1)c(Sc2ccccc2)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002869
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002869-3D
FYIcenter.com

 45 47  0     0  0  0  0  0  0999 V2000
   -4.6940    1.5710   -0.0414 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5830   -1.5743    0.7011 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4008    1.3934   -1.8352 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -1.7421   -2.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7954   -0.8577    0.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4525   -2.9885    0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -2.2312    0.0924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2790   -1.3459    2.3657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9396   -0.8229   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -0.7287   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9951    0.5341   -1.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -1.4541   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0302   -3.0396    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -1.6293   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737    0.6284   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621    1.2597   -0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732   -2.2180    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -1.6588   -0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913   -2.0140    1.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030    2.6467   -0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0651   -0.8955   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463   -1.2506    1.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830   -0.6912    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154    2.2760    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262    3.9966   -0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2511    3.2553    1.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8619    4.9759    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1746    4.6052    1.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974   -2.5116    0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -3.5721   -0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9528   -3.8011    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2187    2.3168   -1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4169   -2.0753    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201   -1.8116   -1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032   -2.4427    2.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8964   -0.7060    2.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9777   -2.1619    2.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5612   -0.4603   -1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3493   -1.0911    2.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0879    1.2303    0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833    4.3044   -1.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4820   -0.0966    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4960    2.9668    2.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8021    6.0270   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3585    5.3677    2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 33  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  2  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 939👍, 0💬