Molecule FYI-1008846

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Molecule Summary:

ID: FYI-1008846
Names:
InChIKey: GAVFWRDGXUMIIY-UHFFFAOYSA-N
SMILES: Cc1cc(N)nc(=S)[nH]1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008846 Edit

Molecule Structure InChIKey: GAVFWRDGXUMIIY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(N)nc(=S)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008846
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   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
    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 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008846-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -2.6603    1.4272   -0.0005 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0196    1.3008    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420   -0.7988    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0852   -2.7754   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.6986    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025   -0.6356   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204   -1.4012    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029    1.6037   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    0.5807    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436   -1.1708   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609    2.3157    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3430    1.0421   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3976    2.2438    0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    2.2443   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -3.3363    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -3.2723   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 125👍, 0💬