Molecule FYI-1016334

A

Molecule Summary:

ID: FYI-1016334
Names:
InChIKey: BFRUJWQFJLNMAQ-UHFFFAOYSA-N
SMILES: NS(O)(O)c3cc2N=C(Cc1ccccc1)NS(O)(O)c2cc3Cl

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

Molecule ID: FYI-1016334 Edit

Molecule Structure InChIKey: BFRUJWQFJLNMAQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(O)(O)c3cc2N=C(Cc1ccccc1)NS(O)(O)c2cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1016334
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.2120    5.2248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.0124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.2124    0.0000 Cl  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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 21  7  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016334-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.0013    0.0203    0.3520 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5957   -0.1749   -0.0231 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4462    0.2275    1.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -1.7533   -0.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442    0.6420   -1.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561   -0.1245   -2.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.4731   -3.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5618   -0.3425   -4.7500 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8098    0.1234   -5.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525   -0.8190   -6.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -0.5281   -6.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7700   -0.8130   -5.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1117   -0.4509   -5.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7414    0.1895   -6.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334    0.4487   -7.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6871    0.0897   -7.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342    1.3788   -6.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2652    2.5557   -5.3394 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278    3.5353   -5.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691    3.4757   -5.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536    1.8579   -3.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3712    2.6444   -2.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0184    2.0300   -1.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348    3.0511   -0.3164 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6922   -0.7439    0.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367   -0.0444   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0631    0.9964    1.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4407   -2.0796    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7820   -1.1992   -2.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -0.6770   -7.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3690   -1.8636   -6.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2815   -1.2901   -4.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6566   -0.6530   -4.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7814    0.4921   -6.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320    0.9434   -8.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1536    0.3090   -8.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1113    1.6341   -7.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6159    3.1747   -6.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200    4.2778   -5.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2673    3.7169   -2.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  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 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

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2025-12-09, 1186👍, 0💬