Molecule FYI-1016331

A

Molecule Summary:

ID: FYI-1016331
Names:
InChIKey: YZRPRYBGRCAALY-UHFFFAOYSA-N
SMILES: NS(O)(O)c1cc2c(cc1Cl)N=C(CCl)NS2(=O)=O

Received at FYIcenter.com on: 2025-12-07

Molecule ID: FYI-1016331 Edit

Molecule Structure InChIKey: YZRPRYBGRCAALY-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(O)(O)c1cc2c(cc1Cl)N=C(CCl)NS2(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016331
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.9746    2.6124    0.0000 N   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
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   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
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016331-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.1407   -0.0865    0.2914 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574    0.0168   -0.0172 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048    1.5580   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340   -0.3495    1.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084   -0.9611   -1.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837   -0.3154   -2.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282   -1.0607   -3.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0348   -2.4335   -3.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829   -3.0658   -2.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131   -2.3418   -1.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918   -3.2246   -0.0690 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -3.2429   -4.7389 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270   -2.7839   -5.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0934   -3.7308   -6.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708   -3.2084   -8.4048 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1976   -1.4466   -6.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8915   -0.2342   -4.9446 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585    0.5928   -5.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.3132   -4.5644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    0.2879    1.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754   -1.0722    0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6347    2.2065    0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972    0.3257    2.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410    0.7614   -2.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3187   -4.1413   -2.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7900   -4.7490   -6.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1563   -3.7128   -7.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4981   -1.1159   -6.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 846👍, 0💬