Molecule FYI-1001716

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A

Molecule Summary:

ID: FYI-1001716
SMILES: CCCCC1(Cc2cc(OCCCC3=NSC(=O)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001716 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3=NSC(=O)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001716
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.2061   12.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080   10.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    9.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080    8.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    7.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    7.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    5.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0859    2.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8700    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    3.5420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    1.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    1.5669    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    2.9709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7771    6.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0629    5.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6081    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7290    6.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8025    7.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917    8.3168    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  3  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  2  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001716-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    2.4544    0.4361    3.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    0.3290    1.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    1.6429    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436    1.5132   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    2.7151   -0.8456 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1169    4.0318   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645    4.8101    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    5.9621    0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    6.5295    1.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838    7.6814    2.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    8.6898    2.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5006   10.0857    2.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1192   11.1380    3.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7946   12.5350    2.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5526   13.2098    2.1087 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8529   14.7406    1.9055 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   14.3923    2.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178   15.1667    3.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640   13.1152    3.3826 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    5.8587    2.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    6.3080    4.4289 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6358    4.7347    2.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7114    3.8614    3.3246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3912    4.2730    1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9496    3.1411    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0178    2.6037    0.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5866    2.3509   -2.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6682    2.6106   -3.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2618    1.8178   -4.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1983    0.7910   -3.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571    0.8786   -2.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -0.5065    3.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072    1.2300    3.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    0.6554    3.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    0.0576    0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6995   -0.4805    1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4080    1.8694    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8629    2.4537    1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    1.2564   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    0.6454   -0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    3.8296   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4950    4.6546   -1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609    6.4223   -0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9996    8.6219    2.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5573    8.5664    3.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080   10.1804    2.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313   10.2350    1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111   11.0281    3.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   10.9955    4.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222   12.7081    4.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4974    2.9534   -2.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062    3.6699   -3.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.2567   -3.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8176    2.4744   -5.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4676    1.3427   -5.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2378    1.0412   -4.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033   -0.2160   -4.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291    0.5584   -1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247    0.2040   -2.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  2  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END
$$$$

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2022-12-02, 1996👍, 0💬