Molecule FYI-1016333

A

Molecule Summary:

ID: FYI-1016333
Names:
InChIKey: WBENLEQOIAIXJT-UHFFFAOYSA-N
SMILES: NS(O)(O)c2cc1N=CNS(O)(O)c1cc2C(F)(F)F

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

Molecule ID: FYI-1016333 Edit

Molecule Structure InChIKey: WBENLEQOIAIXJT-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(O)(O)c2cc1N=CNS(O)(O)c1cc2C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1016333
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4003    5.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1053    4.0410    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3264    4.7459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8103    2.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    3.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    4.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    3.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    4.0410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    1.2210    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    1.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1053    1.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8103    2.2785    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3264    0.5160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003    0.0000    0.0000 F   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  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  5  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016333-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.0956   -0.3214   -0.1648 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7101   -0.2156    0.1277 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273   -1.5787    0.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4952   -0.2846   -1.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2127    1.1777    1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    0.9406    2.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2202    1.9916    3.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    1.6807    4.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2095    2.6160    5.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286    3.9853    5.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2199    4.5483    3.8140 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9861    5.7682    3.1077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    5.2025    4.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    3.2751    2.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    3.5444    1.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    2.4849    0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    2.8698   -0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    1.8616   -1.5232 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460    3.5135   -0.4282 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9693    3.7423   -1.4080 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8477   -1.0736   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    0.5396   -0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3832   -2.2972    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.3228   -2.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034   -0.0761    2.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    2.3085    6.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0876    4.4630    5.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7241    6.1546    3.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9523    6.1631    4.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275    4.5723    1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  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 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
$$$$

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