Molecule FYI-1015319

Home > Molecule

A

Molecule Summary:

ID: FYI-1015319
Names:
InChIKey: JHZUSTSRRHMPCM-UHFFFAOYSA-N
SMILES: CCNc1ccc(NS(C)(=O)=O)cc1S(=O)=O

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015319 Edit

Molecule Structure InChIKey: JHZUSTSRRHMPCM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNc1ccc(NS(C)(=O)=O)cc1S(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015319
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699    4.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    5.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    4.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    6.7528    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285    6.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426    7.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7446    8.6723    0.0000 C   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  2  0  0  0  0
  5  2  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
 10 13  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015319-3D
FYIcenter.com

 31 31  0  0  0  0  0  0  0  0999 V2000
    0.8570    0.0099    0.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -0.0100    1.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435   -1.2261    0.4877 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3320   -1.4362    0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -0.5329    1.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578   -0.7293    1.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1379   -1.8536    0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5549   -1.9901    0.7860 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191   -2.6958    2.1139 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8022   -1.2623    3.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3694   -3.4676    2.8823 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5262   -3.2917    1.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335   -2.8180    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.5891    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771   -3.8214   -0.6989 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168   -3.4498   -2.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563   -5.1218   -0.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4372    0.9193    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863   -0.8529    1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5900   -0.0047   -0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5734    0.0323    2.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    0.8787    0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6661   -1.3045   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7849    0.3816    1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728    0.0304    1.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9502   -2.3825   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9111   -0.7680    3.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3797   -0.5930    2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4253   -1.6003    3.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7658   -3.7310   -0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7234   -3.7146   -0.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-08-18, 677👍, 0💬