Molecule FYI-1007413

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A

Molecule Summary:

ID: FYI-1007413
Names:
InChIKey: DZLNHFMRPBPULJ-UHFFFAOYSA-N
SMILES: O=C(O)C1CSCN1

Received at FYIcenter.com on: 2024-02-21

Molecule ID: FYI-1007413 Edit

Molecule Structure InChIKey: DZLNHFMRPBPULJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C1CSCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007413
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    2.9230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.2544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    2.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007413-3D
FYIcenter.com

 15 15  0     1  0  0  0  0  0999 V2000
   -2.3798   -0.8199    0.2402 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925   -1.0486   -0.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630    1.0585    0.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    1.1629   -0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544   -0.0897   -0.4185 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6201   -1.2242    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0627    0.8949   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    0.0660   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113   -0.2446   -1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237   -2.1976   -0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156   -1.2646    1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373    1.9195   -0.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    1.5806    0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    1.0193   -1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366   -0.9660   -0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$

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2024-02-28, 179👍, 0💬