Molecule FYI-1013141

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A

Molecule Summary:

ID: FYI-1013141
Names:
InChIKey: SDXRGGOLOODVGI-UHFFFAOYSA-N
SMILES: Cc3cc(C)cc(CS(=N)c2nc1ccccc1s2)c3

Received at FYIcenter.com on: 2024-11-15

Molecule ID: FYI-1013141 Edit

Molecule Structure InChIKey: SDXRGGOLOODVGI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C)cc(CS(=N)c2nc1ccccc1s2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013141
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2126    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.7700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    3.6373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0793    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    4.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 14 18  1  0  0  0  0
 10 19  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013141-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.7731   -2.4571    1.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -1.4029    0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633   -1.0380   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906   -0.0732   -1.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007    0.3066   -2.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716    0.5273   -1.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2684    0.1698   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337    0.8254   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9903   -0.3770   -0.0125 S   0  0  3  0  0  0  0  0  0  0  0  0
   -5.1878    0.5222    0.2072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2474   -0.6544   -1.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -0.6053   -2.6147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7429   -1.0045   -3.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -1.0326   -5.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.5169   -6.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9097   -1.9863   -6.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6670   -1.9501   -5.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0690   -1.4382   -3.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7571   -1.2337   -2.3274 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -0.7861    0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632   -2.8748    1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535   -3.2800    1.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971   -2.0320    2.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -1.5197   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442   -0.2474   -2.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352    1.3748   -2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196    0.0856   -3.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6801    1.2625   -1.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768    1.5406   -0.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6732    1.3993    0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0049    1.1574    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844   -0.6763   -5.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0262   -1.5366   -7.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3555   -2.3796   -7.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6905   -2.3101   -5.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5646   -1.0699    1.6367 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
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1421👍, 0💬