Molecule Editor

Molecule ID: FYI-1006395 Edit

Molecule Structure InChIKey: LBQSNZZYIWUKTQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)C4=CC(Cl)=C(C(O)Nc3ccc(c1ccccn1)c(c2ccccn2)c3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006395
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   14.5495    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    6.9999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6370    8.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0371    5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6997    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
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 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 26  7  1  0  0  0  0
 17 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006395-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    3.7999    0.5910   -1.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    0.0047   -0.4082 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.5694    0.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844    0.2546   -0.8092 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643   -1.7127   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156   -2.5018   -1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5205   -3.9319   -1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848   -4.7690   -2.3732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4665   -4.5547   -0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -6.0298   -0.6371 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1255   -6.1415   -1.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3154   -8.6388    1.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290  -10.0319    2.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899  -10.9254    1.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2149  -12.3867    1.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5416  -15.0895    1.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$