Molecule Editor

Molecule ID: FYI-1006821 Edit

Molecule Structure InChIKey: QAUWUDVAJDRMLA-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCSSCCNC(=O)c3cn(Cc2cccc(Oc1ccccc1)c2)nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006821
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9263   13.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5340   14.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111   12.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804   11.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2041    8.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7736    6.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.2543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    2.9229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  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  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  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
 25 24  2  0  0  0  0
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 26 18  2  0  0  0  0
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 28 27  2  0  0  0  0
 28 16  1  0  0  0  0
 29 14  1  0  0  0  0
 30 29  2  0  0  0  0
 30 12  1  0  0  0  0
 31 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006821-3D
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    5.6096    1.4292   -3.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2268    0.1181   -3.6022 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891   -0.5200   -4.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4592    0.2786   -2.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1405   -1.0535   -2.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6577   -0.7947   -1.4788 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3511   -2.7277   -1.2831 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7747   -3.2090   -2.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0221   -2.6551   -5.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2123   -2.1961   -6.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2277   -1.4911   -5.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0903   -2.2754   -8.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8641   -2.9233   -9.5316 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8031   -2.8291  -10.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9345   -3.8955  -11.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2519   -5.2536  -11.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$