Molecule FYI-1000972

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Molecule Summary:

ID: FYI-1000972
SMILES: S=C1S\\C(=C/c2ccccc2)C(=O)N1CCN(C)C

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

Molecule ID: FYI-1000972 Edit

Molecule Structure SMILES String: S=C1SC(=C/c2ccccc2)C(=O)N1CCN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000972
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.9556    1.5397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    2.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    2.1854    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4577    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2807    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6730    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4959    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9265    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5342    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7112    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    4.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    5.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8688    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  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  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 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000972-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.6099    0.1687    0.1230 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507    0.0606   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549    1.5049   -0.1118 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5170    0.5968   -0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7293    1.1669    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9884    0.4260    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5175    0.0652    1.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6989   -0.6758    1.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3572   -1.0549    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8359   -0.6948   -1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6535    0.0436   -1.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2089   -0.8593   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0514   -1.7440   -0.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606   -1.0661   -0.1198 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392   -2.4484   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -3.3532   -1.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7599   -2.9490   -2.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215   -2.9374   -2.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522   -3.8894   -3.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8370    2.2465    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0057    0.3392    2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0981   -0.9684    2.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2709   -1.6408    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3424   -1.0008   -1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2468    0.2992   -2.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1839   -2.8774    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198   -2.4875    0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8453   -3.3996   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -4.3745   -0.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -2.1548   -1.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749   -2.7060   -3.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528   -3.8970   -2.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438   -3.8850   -3.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5861   -4.9165   -3.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841   -3.6029   -4.5615 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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  3  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  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 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  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
M  END
$$$$

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2021-12-28, 3024👍, 0💬