Molecule FYI-1000975

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Molecule Summary:

ID: FYI-1000975
SMILES: S=C1S/C(=C/c2ccc(CC)cc2)C(=O)N1CCN(CC)CC

Received at FYIcenter.com on: 2021-08-20

Molecule ID: FYI-1000975 Edit

Molecule Structure SMILES String: S=C1S/C(=C/c2ccc(CC)cc2)C(=O)N1CCN(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000975
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6322    0.8611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1473    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710    9.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787    9.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558   10.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635   10.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    7.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321    6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1681    5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   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
    2.4249    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
    3.6373    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 13  6  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000975-3D
FYIcenter.com

 47 48  0  0  0  0  0  0  0  0999 V2000
    2.6158    0.2913    0.2355 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9632    0.1703    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520    1.6050   -0.0791 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119    0.6922   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    1.2590   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9826    0.5144    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5352    0.2325    1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6867   -0.5515    1.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2990   -1.0696    0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4991   -1.9751    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8145   -1.2154    0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7612   -0.7548   -0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6091    0.0297   -1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922   -0.7630    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0262   -1.6530    0.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1773   -0.9626   -0.0161 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -2.3415    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3035   -3.2384   -1.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -2.8801   -2.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3456   -2.7872   -2.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1134   -4.0833   -2.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516   -3.8257   -3.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7942   -3.5655   -4.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386    2.3406   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551    0.5926    2.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7353   -2.3790    0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5774   -4.2680   -0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588   -2.0563   -1.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6781   -4.6866   -1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431   -3.8529   -1.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5477   -2.5474   -5.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784   -4.2597   -5.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676   -3.7261   -5.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-12-28, 2749👍, 0💬