Molecule FYI-1008920

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A

Molecule Summary:

ID: FYI-1008920
Names:
InChIKey: LOGPRZMQSREDOU-UHFFFAOYSA-N
SMILES: Oc1ccccc1c2nccs2

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

Molecule ID: FYI-1008920 Edit

Molecule Structure InChIKey: LOGPRZMQSREDOU-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1ccccc1c2nccs2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008920
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.6406    0.2835    0.0000 O   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-1008920-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    1.9232   -1.0942   -1.0456 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    2.1722   -0.4215 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7715    0.6157    0.8873 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900   -0.1784    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537   -0.1256    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    0.9682   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -1.3963    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5384    0.8969   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -1.4675    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761   -0.3210    0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3888   -0.4806   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    0.4106    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628   -2.3026    0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403    1.7817   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174   -2.4151    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608   -0.3765    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517   -0.7906   -0.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8531    0.9431    1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2356    2.8449   -0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 12  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
  6  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 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1067👍, 0💬