Molecule FYI-1003207

A

Molecule Summary:

ID: FYI-1003207
Names:
InChIKey: SYMFGNJMIREWAA-UHFFFAOYSA-L
SMILES: CCSc2ccc1snc(NC(=O)OC)n([Co]Cl)c1c2

Received at FYIcenter.com on: 2023-05-24

Molecule ID: FYI-1003207 Edit

Molecule Structure InChIKey: SYMFGNJMIREWAA-UHFFFAOYSA-L

Molecule Structure SMILES String: CCSc2ccc1snc(NC(=O)OC)n([Co]Cl)c1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003207
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    8.4000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003207-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.1477    0.3458    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602    0.2176    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -0.5655    1.8841 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134   -0.6568    1.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3999   -1.9193    1.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7780   -2.0381    1.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913   -0.9022    1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3337   -1.2340    1.4082 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9093    0.4125    1.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2634    1.5277    1.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0194    2.7417    1.5151 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3912    2.7705    1.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9675    3.8470    1.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167    1.6139    1.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4925    1.5112    1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8288    1.5770    1.5561 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188    3.3242    1.5462 Co  0  0  0  0  0  0  0  0  0  0  0  0
    5.8655    5.3463    1.5348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0253    0.3912    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6221    0.4983    1.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850    0.8794   -0.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7429    0.9185    1.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770   -0.6610    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    1.2352    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0391   -0.3966   -0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7933   -2.8168    1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2211   -3.0271    1.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5027    3.6367    1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7731    0.4345    1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9140    1.9692    2.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167    1.9943    0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603    1.4738    1.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  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 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2290👍, 0💬