Molecule FYI-1001326

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A

Molecule Summary:

ID: FYI-1001326
SMILES: c1(ccc(cc1)Cl)SSc1nnco1

Received at FYIcenter.com on: 2022-05-18

Molecule ID: FYI-1001326 Edit

Molecule Structure SMILES String: c1(ccc(cc1)Cl)SSc1nnco1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001326
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.4834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001326-3D
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4818    0.0422    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568    1.2394    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3585    1.2168   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3159   -0.0027   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3945   -1.2002   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922   -1.1756    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350   -0.0320   -0.0398 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2648    0.0014    0.1105 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    1.1817    1.7460 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777    0.1820    3.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7502    0.6640    4.2255 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624   -0.3913    4.9681 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3381   -1.4424    4.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493   -1.1714    2.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2675    2.2004    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960    2.1518   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -2.1532   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -2.1187    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497   -2.4604    4.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
$$$$

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2022-07-01, 686👍, 0💬