Molecule FYI-1000973

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Molecule Summary:

ID: FYI-1000973
SMILES: S=C1S\\C(=C/c2ccc(CC)cc2)C(=O)N1CCN(C)C

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

Molecule ID: FYI-1000973 Edit

Molecule Structure SMILES String: S=C1SC(=C/c2ccc(CC)cc2)C(=O)N1CCN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000973
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.9556    3.8049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    4.4506    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2807    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6730    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4959    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9265    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7494    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5342    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7113    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    8.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.8340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  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 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000973-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.6086    0.1698    0.1081 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533    0.0657   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0443    1.5128   -0.1978 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159    0.6175   -0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7173    1.2067   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9815    0.4803    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4823    0.1463    1.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6351   -0.6342    1.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2984   -1.0945    0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4975   -1.9994    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8062   -1.2304    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8172   -0.7201   -0.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6639    0.0600   -1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128   -0.8436   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559   -1.7247   -0.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570   -1.0580   -0.1301 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -2.4406   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2704   -3.3498   -1.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7994   -2.9411   -2.5394 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2633   -2.9518   -2.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898   -3.8612   -3.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8135    2.2894   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9622    0.4603    2.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9933   -0.9077    2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3922   -2.6274    1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5203   -2.6918   -0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8313   -0.5638    1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6462   -1.9277    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9585   -0.6227   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3197   -1.0610   -1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862    0.3056   -2.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1641   -2.8665    0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -2.4755    0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221   -3.4037   -1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -4.3683   -0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775   -2.1832   -1.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274   -2.7156   -3.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783   -3.9214   -2.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051   -3.8401   -3.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -4.8952   -3.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6390   -3.5640   -4.5618 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  3  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  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 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  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 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  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 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

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2021-12-28, 2696👍, 0💬