Molecule FYI-1016329

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Molecule Summary:

ID: FYI-1016329
Names:
InChIKey: QRKDOAWSBBGNLE-UHFFFAOYSA-N
SMILES: c2ccc1s[nH]cnc1c2

Received at FYIcenter.com on: 2025-12-07

Molecule ID: FYI-1016329 Edit

Molecule Structure InChIKey: QRKDOAWSBBGNLE-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1s[nH]cnc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016329
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016329-3D
FYIcenter.com

 16 17  0     0  0  0  0  0  0999 V2000
    1.4638   -1.6902    0.0006 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    1.4542    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6025   -0.4925   -0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0396   -0.7246    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260    0.6818    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631   -1.4109    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    1.3701   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4681   -0.7095   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    0.6811   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885    0.8406   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933   -2.4983    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2609    2.4580   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107   -1.2489   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979    1.2304   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   -0.7561   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014    1.4590   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2025-12-09, 380👍, 0💬