Molecule FYI-1008939

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A

Molecule Summary:

ID: FYI-1008939
Names:
InChIKey: ZQNDGBGDULZZEN-UHFFFAOYSA-N
SMILES: Nc1ccccc1c2nccs2

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

Molecule ID: FYI-1008939 Edit

Molecule Structure InChIKey: ZQNDGBGDULZZEN-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccccc1c2nccs2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008939
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.6406    0.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 S   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008939-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
    1.9202   -1.0909   -1.0510 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733    0.6091    0.8909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413    2.2197   -0.4213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915   -0.1759    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533    0.9678   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0536   -0.1262    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0223   -1.3982    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5459    0.8890   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4150   -1.4771    0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767   -0.3333    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3876   -0.4857   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113    0.4017    0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -2.3028    0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1521    1.7720   -0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9066   -2.4281    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2611   -0.3947    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1168    3.0342   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649    2.3138   -0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3496   -0.7966   -0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559    0.9293    1.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  2  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1576👍, 0💬