Molecule FYI-1007206

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A

Molecule Summary:

ID: FYI-1007206
Names:
InChIKey: AIUOUEPKBRDPLG-UHFFFAOYSA-N
SMILES: c2ccc1SCOc1c2

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007206 Edit

Molecule Structure InChIKey: AIUOUEPKBRDPLG-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1SCOc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007206
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007206-3D
FYIcenter.com

 15 16  0     0  0  0  0  0  0999 V2000
    1.8259    1.4194    0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4718   -1.2651    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2108    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2452   -0.6478    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5015   -0.2533   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972    1.4237   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269   -1.3904   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.6860    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -0.4027    0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221   -0.4025   -0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329    2.5086   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9020   -2.4754   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397    1.2009    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776   -1.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2024-02-18, 849👍, 0💬