Molecule Editor

Molecule ID: FYI-1010231 Edit

Molecule Structure InChIKey: MLSWQIDSXBBESZ-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c5ccc4nc(c3ccc(C(=O)O[Na])cc3)sc4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010231
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    9.4612   13.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488   12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363   13.6904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239   12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450   13.5598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   12.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   12.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158   13.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464   13.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   11.6254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0363   10.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9322    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6322    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6322    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1322    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7322    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0322    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016    8.5536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
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 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
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 16 15  2  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 16  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
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
 31 22  1  0  0  0  0
 32 21  1  0  0  0  0
 32 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010231-3D
FYIcenter.com

 45 49  0  0  0  0  0  0  0  0999 V2000
    2.4088    0.6612    0.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1943   -0.3363   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0088   -0.4656   -1.1996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    0.4672   -1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683    1.7343   -0.7546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709    2.3479   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5706    3.7450   -0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666    4.4057   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177    5.6827   -0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3430    5.7545    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7108    4.5747    0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077    1.5615   -1.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5229    0.0751   -1.9827 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2169   -1.4496   -0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156   -2.5398   -1.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0320   -3.6009   -1.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0538   -3.5943   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9592   -4.5964   -0.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8131   -4.3456    0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8389   -5.3154    1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0179   -6.5407    0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9692   -7.4658    0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -7.1850    2.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7716   -8.1567    2.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5791   -5.9640    2.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2982   -1.4534    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4292   -0.6594    1.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$