Molecule FYI-1016360

A

Molecule Summary:

ID: FYI-1016360
Names:
InChIKey: DMXUZRZAFMVQNJ-UHFFFAOYSA-N
SMILES: COc5ccc(c2nc(NS(=O)(=O)c1ccc(C)cc1)nc(N)c2c4nc3ccccc3s[nH]4)cc5

Received at FYIcenter.com on: 2025-12-09

Molecule ID: FYI-1016360 Edit

Molecule Structure InChIKey: DMXUZRZAFMVQNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5ccc(c2nc(NS(=O)(=O)c1ccc(C)cc1)nc(N)c2c4nc3ccccc3s[nH]4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016360
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 N   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
    8.4870    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   15.4000    0.0000 O   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
    9.6995    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   16.1000    0.0000 C   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
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  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
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
 12 25  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 32 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016360-3D
FYIcenter.com

 58 62  0  0  0  0  0  0  0  0999 V2000
    2.1297   -1.2463   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0771   -0.9478    0.1681 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0825   -1.4075    0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2218   -2.1139    0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1956   -2.4943    1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -2.2170    2.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0067   -2.5513    3.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2150   -1.4463    4.7462 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8795   -1.5968    5.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7450   -0.5388    6.7770 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0853    0.4033    7.0441 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8216    1.1393    8.2673 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2921   -0.3813    6.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0436    1.5832    5.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3702    2.7994    5.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267    3.7612    4.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1627    3.5172    3.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2508    4.5526    2.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8352    2.2975    3.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7848    1.3310    4.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3025   -2.7534    6.3698 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1609   -3.8320    5.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4970   -5.0353    6.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.8023    4.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3834   -5.1032    3.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3121   -6.0301    3.6535 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0766   -7.3246    3.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7759   -8.4300    3.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4587   -9.7383    3.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4453   -9.9608    2.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7833   -8.8744    1.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -7.5717    2.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192   -6.2017    1.4139 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2256   -5.2485    2.7869 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8707   -1.4904    3.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9194   -1.0917    2.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604   -0.6429   -1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8922   -2.2999   -1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905   -0.9742   -1.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3948   -2.3770   -0.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0871   -3.0109    1.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2261   -0.7516    7.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8144    3.0156    6.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9056    4.7059    4.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6886    5.4562    2.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8418    4.1548    1.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    4.8442    2.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    2.0994    2.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3390    0.3995    4.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0124   -4.8512    7.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9633   -5.6731    5.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5573   -8.2850    4.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885  -10.5876    3.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1675  -10.9737    1.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -9.0463    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235   -5.4189    3.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107   -1.1952    4.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521   -0.5188    2.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  2  0  0  0  0
  4  5  2  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  2  0  0  0  0
 28 29  2  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 31  2  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 56  1  0  0  0  0
 35 36  1  0  0  0  0
 35 57  1  0  0  0  0
 36 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 409👍, 0💬