Molecule FYI-1015658

A

Molecule Summary:

ID: FYI-1015658
Names:
InChIKey: INOHUJUAQPCGMI-UHFFFAOYSA-N
SMILES: CC(C)(C)S(=O)(=O)C/C(N)=N/OC(=O)c2cc(c1ccc(Cl)cc1)oc2C(F)(F)F

Received at FYIcenter.com on: 2025-09-23

Molecule ID: FYI-1015658 Edit

Molecule Structure InChIKey: INOHUJUAQPCGMI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)S(=O)(=O)C/C(N)=N/OC(=O)c2cc(c1ccc(Cl)cc1)oc2C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1015658
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
   13.4929   10.1075    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9235    8.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5312    8.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9617    7.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7847    6.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    4.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    4.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2695    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6389    1.6605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5606    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001    1.0784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    3.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    6.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7464    7.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  2  0  0  0  0
 22  9  2  0  0  0  0
 23  8  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 28  6  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015658-3D
FYIcenter.com

 48 49  0     0  0  0  0  0  0999 V2000
   -8.3842   -2.8480   -0.3952 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3874   -0.6206   -0.6499 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034    3.5699   -0.0392 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9925    3.5310   -1.5225 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614    3.9675    0.5615 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2506   -1.6702   -1.6346 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099   -0.3123    0.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8169    1.8778    1.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -2.3871    0.0707 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -0.1047    0.7804 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2476    0.3862    1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9785   -0.1869   -1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5283   -1.1232    0.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420   -1.1893    0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1611   -0.0428    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    1.7380    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 956👍, 0💬