Molecule FYI-1006142

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Molecule Summary:

ID: FYI-1006142
Names:
InChIKey: LGPWCUZTPPUWEN-UTCJRWHESA-N
SMILES: O=C=NN(CS)/C(Cl)=N\\O

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006142 Edit

Molecule Structure InChIKey: LGPWCUZTPPUWEN-UTCJRWHESA-N

Molecule Structure SMILES String: O=C=NN(CS)/C(Cl)=N\O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006142
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  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  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006142-3D
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.2430   -1.7549   -1.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -0.9269   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -0.0891    0.1572 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    1.0487    0.3406 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882    2.2892    0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    2.0594    1.4010 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6039    1.1003    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.2189    1.1831 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4285    2.0009   -0.0708 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7819    3.0279   -0.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    2.8932   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0651    2.8711    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183    1.4268    0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5342    3.5457   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

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2023-12-08, 254👍, 0💬