Molecule FYI-1016697

A

Molecule Summary:

ID: FYI-1016697
Names:
InChIKey: DGIQIBHRQRNGPY-UHFFFAOYSA-N
SMILES: CN(CCCn3c1ccccc1sc2ccccc23)C(=O)CCl

Received at FYIcenter.com on: 2026-02-23

Molecule ID: FYI-1016697 Edit

Molecule Structure InChIKey: DGIQIBHRQRNGPY-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(CCCn3c1ccccc1sc2ccccc23)C(=O)CCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1016697
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
  5 10  2  0  0  0  0
  4  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  2 14  2  0  0  0  0
  1 11  2  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016697-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -6.5547    0.9858    1.3985 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0953    0.7168    0.2219 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2711    1.1204   -0.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.0320   -0.6283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6109   -1.1001   -0.3942 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087   -0.3638   -1.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067   -0.5760   -0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143    1.3333   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083   -1.1087   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989   -0.8740   -1.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6784    1.7915    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3313   -0.8926    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736    2.2862   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212   -2.4326   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8836    3.1452    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1263   -1.9630    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820    3.6297   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139   -3.4920    0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8253   -2.4930    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8392    4.0604    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190   -3.2574    0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4465   -0.0496    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5809   -0.4347    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.2495   -2.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1998    0.4233   -2.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0221   -1.3943    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3805    0.2843    0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7317   -0.0208   -1.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3738   -1.7463   -1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308    2.0355   -0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.6982   -0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627    3.5019    0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522   -1.7986    1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8908   -2.8828    0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6060   -2.6190    0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0956   -3.0765   -0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2401    4.3366   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9078   -4.4990    0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    5.1035    0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399   -4.0772    1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2458   -1.1502    0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1827   -0.8454    1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 22  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  0  0  0  0
 16 21  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 38  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$

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2026-03-22, 552👍, 0💬