Molecule FYI-1008321

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Molecule Summary:

ID: FYI-1008321
Names:
InChIKey: KBGWULLXFVTZCA-UHFFFAOYSA-N
SMILES: N#C/C(C#N)=C(N)/N

Received at FYIcenter.com on: 2024-04-27

Molecule ID: FYI-1008321 Edit

Molecule Structure InChIKey: KBGWULLXFVTZCA-UHFFFAOYSA-N

Molecule Structure SMILES String: N#C/C(C#N)=C(N)/N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008321
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.8000    0.0000 N   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
    3.6373    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 N   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  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  3  0  0  0  0
  7  4  1  0  0  0  0
  8  7  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008321-3D
FYIcenter.com

 12 11  0     0  0  0  0  0  0999 V2000
   -1.1792    1.9090   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789    1.9090    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159   -1.5125    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -1.5129    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    1.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1682   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245   -0.9090   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2243   -0.9094   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1331    2.9202   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0771    1.4431   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768    1.4432    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328    2.9202    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  3  0  0  0  0
  4  8  3  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1360👍, 0💬