Molecule FYI-1002930

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A

Molecule Summary:

ID: FYI-1002930
Names:
InChIKey: HOKKPVIRMVDYPB-GXDHUFHOSA-N
SMILES: N#C/N=C\\1SCCN1Cc2ccc(Cl)nc2

Received at FYIcenter.com on: 2023-04-27

Molecule ID: FYI-1002930 Edit

Molecule Structure InChIKey: HOKKPVIRMVDYPB-GXDHUFHOSA-N

Molecule Structure SMILES String: N#C/N=C\1SCCN1Cc2ccc(Cl)nc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002930
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.2086    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    1.6290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6323    4.0389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5919    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5514    5.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  3  0  0  0  0
  8  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  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
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002930-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
    4.9387    0.9879   -1.1760 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2419   -0.6598   -0.9332 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963   -1.0425    0.4738 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0109    1.1965    0.4991 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863   -0.8210   -0.3300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8868    2.5696   -0.4227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -2.3851    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361   -0.8895    1.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3422   -2.2217   -1.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9845   -0.0424    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098   -0.3624    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318    0.9988    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463   -1.2286    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933    1.4568    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807    0.5147   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0178    1.9287    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0324   -2.8810    0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928   -2.9999   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832   -1.8468    1.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3489   -0.2187    2.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217   -2.1135   -2.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254   -3.0635   -1.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230    1.7155    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0173   -2.3051    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7866    2.5213    0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  4 16  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 16  3  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 1745👍, 0💬