Molecule FYI-1004325

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Molecule Summary:

ID: FYI-1004325
Names:
InChIKey: OVYRXAYEMGHBPS-UHFFFAOYSA-N
SMILES: CNC(Cl)CCS

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004325 Edit

Molecule Structure InChIKey: OVYRXAYEMGHBPS-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(Cl)CCS

Download SDF Download SVG Structure in 2D SDF:

FYI-1004325
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004325-3D
FYIcenter.com

 17 16  0  0  1  0  0  0  0  0999 V2000
    2.9693   -1.2965    0.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4844   -0.0397    0.1977 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748    1.1659    0.7712 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4432    1.3431    2.4274 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6048    1.2500    0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1410    1.2051   -0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9587    1.2550   -0.6872 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628   -2.1272    0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581   -1.3887    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411   -1.4367    0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.0120    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6764    2.0231    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0435    0.4453    1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9137    2.1931    1.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    2.0583   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    0.2901   -1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0873    2.4722   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2619👍, 0💬