Molecule FYI-1006025

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A

Molecule Summary:

ID: FYI-1006025
Names:
InChIKey: ZGUGWUXLJSTTMA-UHFFFAOYSA-N
SMILES: CN(C)CCCn3c1ccccc1sc2ccccc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006025 Edit

Molecule Structure InChIKey: ZGUGWUXLJSTTMA-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCCn3c1ccccc1sc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006025
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  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  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 20  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006025-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
   -1.1856    1.8567    1.4526 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2405   -0.1696   -0.7072 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5521   -1.9054    0.6090 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496   -1.3348   -1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952   -2.5366   -0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1716   -2.2986    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856    0.9689   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104   -0.2466   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503    1.9704    0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1631    0.6344    0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7543    1.1722   -1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4885   -1.1763   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687    3.1018    0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241    0.5589    0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2728   -2.9736   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312   -1.5668    1.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    2.3009   -1.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8415   -1.2438   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2199    3.2653   -0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3592   -0.3774    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989   -1.5776   -2.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -1.2022   -1.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968   -3.4000   -0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152   -2.8503   -0.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1298   -3.2111    1.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614   -1.5206    1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    0.5056   -2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581   -1.8707   -1.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    3.8703    1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9492    1.2312    1.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9155   -3.1121   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -3.9309    0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334   -2.7126   -0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2534   -1.2245    1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772   -2.4179    2.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177   -0.7404    2.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    2.4286   -1.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4872   -1.9724   -1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429    4.1445   -0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4093   -0.4263    0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 27  1  0  0  0  0
 12 18  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  1  0  0  0  0
 13 29  1  0  0  0  0
 14 20  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

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2023-12-01, 399👍, 0💬