Molecule FYI-1009396

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A

Molecule Summary:

ID: FYI-1009396
Names:
InChIKey: NWYCQHOWFHFGMU-UHFFFAOYSA-N
SMILES: CSC1C=CN=C(N)C1

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009396 Edit

Molecule Structure InChIKey: NWYCQHOWFHFGMU-UHFFFAOYSA-N

Molecule Structure SMILES String: CSC1C=CN=C(N)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009396
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   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
    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 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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009396-3D
FYIcenter.com

 19 19  0  0  1  0  0  0  0  0999 V2000
    1.6197   -0.5892    0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545    0.2716    0.0277 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5009   -0.9932   -1.1882 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9706   -2.2236   -0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4566   -3.4251   -0.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339   -3.6654   -1.6376 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550   -2.6738   -2.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9110   -2.9297   -3.1788 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5209   -1.2662   -2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    0.0011    1.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254   -1.5780    1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346   -0.6658    0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3869   -0.5329   -1.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7623   -2.1348    0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -4.3019   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -3.9164   -3.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725   -2.3191   -3.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6956   -0.5447   -2.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -1.1632   -3.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1369👍, 0💬