Molecule FYI-1001512

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A

Molecule Summary:

ID: FYI-1001512
SMILES: O=C1CCSc2cccnc12

Received at FYIcenter.com on: 2022-08-18

Molecule ID: FYI-1001512 Edit

Molecule Structure SMILES String: O=C1CCSc2cccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1001512
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    2.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9178    2.4947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8687    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517    5.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8912    6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    5.6595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268    4.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452    1.3692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    0.5038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8104    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581    5.5991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839    8.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107    8.0063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001512-3D
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.0677    0.0674   -0.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2895    0.0103   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112   -1.3047   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999   -1.5296    0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3769   -0.3586    0.7516 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585    1.1516    0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1443    2.3575    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778    3.5727    0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    3.5500    0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4365    2.4130    0.0648 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    1.2351    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775   -1.3378   -1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600   -2.1032   -0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4068   -2.5442    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5256   -1.4059    1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2009    2.3608    0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9972    4.5147    0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677    4.4691    0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

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2022-10-01, 2280👍, 0💬