Molecule FYI-1003667

A

Molecule Summary:

ID: FYI-1003667
Names:
InChIKey: FVGGAZKZIUTNLQ-UHFFFAOYSA-N
SMILES: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncns3)cc4C#N

Received at FYIcenter.com on: 2023-07-16

Molecule ID: FYI-1003667 Edit

Molecule Structure InChIKey: FVGGAZKZIUTNLQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncns3)cc4C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003667
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3140    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5264    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5264    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7388    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4389    5.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0388    7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1637    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3101    4.9620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6795    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3795    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4427    6.9237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3143    0.7543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394    6.3545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  3  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 26 30  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003667-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
   -4.0981   -4.1291   -1.6160 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    1.9689   -0.9463 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525   -2.2246   -1.5410 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3339    0.2097    1.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5677    2.9457   -1.9924 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    2.3493    0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3032    1.4722   -0.8894 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    0.5389   -1.6963 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8955    2.6250   -0.5339 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.6907    0.3633 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298   -2.9804   -0.0738 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -0.4447    3.9444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2679   -0.5823    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9250    0.6979    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0010   -0.7945    0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    1.4456   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264    0.6103    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2567    0.9282    1.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    0.5106    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561    1.5455   -1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9165   -1.6133   -0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657    1.1276   -0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2952    1.3928    1.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829   -2.0375    0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2985   -2.8563   -0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0317   -3.0685   -0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    1.1761   -2.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8878    2.5708    0.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4989   -0.6657   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9932   -0.0170    2.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614   -2.0104    0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513    0.8659    1.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    1.9405   -2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103   -1.4606   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    1.2236   -1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1596    1.0957    2.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009   -2.2262    0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389   -4.0326   -0.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412    0.4028   -2.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1507    2.1121   -2.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705    0.6854   -2.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9589    0.5354   -2.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3142    3.3920    1.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9867   -2.2695    1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  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 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 29  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  8 29  1  0  0  0  0
  8 39  1  0  0  0  0
  9 28  2  0  0  0  0
 10 29  2  0  0  0  0
 10 31  1  0  0  0  0
 11 31  2  0  0  0  0
 12 30  3  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 23  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 25  2  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 28  1  0  0  0  0
 23 36  1  0  0  0  0
 24 26  2  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 26 38  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 31 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1906👍, 0💬