Molecule FYI-1000976

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A

Molecule Summary:

ID: FYI-1000976
SMILES: S=C1S/C(=C/c2ccccc2C)C(=O)N1CCN(C)C

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

Molecule ID: FYI-1000976 Edit

Molecule Structure SMILES String: S=C1S/C(=C/c2ccccc2C)C(=O)N1CCN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000976
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.9557    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.6457    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    3.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2044    4.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7738    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    5.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890    4.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4196    3.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    2.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4198    4.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3291    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  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  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 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000976-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    2.6324    0.2012    0.1065 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731    0.0817   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0317    1.5300   -0.1127 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    0.6156   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7026    1.1567   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523    0.3935    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3548   -0.0437    1.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5595   -0.7251    1.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3697   -0.9738    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9653   -0.5670   -0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7479    0.1062   -1.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312    0.4946   -2.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -0.8265   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0031   -1.6868   -0.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787   -1.0461   -0.0677 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315   -2.4415   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187   -2.9548    1.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5726   -2.8451    2.4558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964   -3.5790    2.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180   -3.3821    3.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289    2.2307    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331    0.1474    2.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8667   -1.0546    2.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3178   -1.4897    0.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6093   -0.7819   -1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0529    0.1435   -3.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3642    0.0468   -2.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2651    1.5833   -2.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078   -2.5625   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2196   -3.1000   -0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -2.4138    1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920   -4.0054    1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4048   -3.1212    1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806   -3.5486    3.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5614   -4.6302    2.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -2.8214    3.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -4.4391    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236   -3.2895    4.5056 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 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  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
M  END
$$$$

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2021-12-28, 3294👍, 0💬