Molecule FYI-1001170

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Molecule Summary:

ID: FYI-1001170
SMILES: CCOc1ccc(CC2=NNC(=S)N2N)cc1

Received at FYIcenter.com on: 2022-02-11

Molecule ID: FYI-1001170 Edit

Molecule Structure SMILES String: CCOc1ccc(CC2=NNC(=S)N2N)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001170
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.4072    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9823    7.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.1327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    5.3870    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  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 17  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001170-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.9012    0.4207   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989    0.4583   -0.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782    1.4186    0.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274    1.6208    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828    0.9406   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5474    1.2455   -0.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0786    2.2295    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5515    2.5487    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9097    3.6299   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8817    4.9057   -0.6480 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3081    5.5285   -1.7941 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5984    4.5889   -2.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1707    4.9361   -4.2929 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3340    3.3629   -2.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4468    2.1177   -2.8200 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2164    2.9137    0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8531    2.6055    0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4252   -0.3278   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525    1.3976   -0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    0.1825    0.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5802    0.7416   -1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162   -0.5356   -0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237    0.1661   -1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1907    0.7037   -1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1208    1.6382   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8749    2.8719    1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3850    6.5358   -1.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9831    2.2596   -3.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0318    1.5168   -2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5983    3.6916    1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    3.1415    1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  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 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 2679👍, 0💬