Molecule Editor

Molecule ID: FYI-1003518 Edit

Molecule Structure InChIKey: JZNHAUXQIYNLSU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)C4=CC3C=C(NC(=O)Nc2cc(C1C=CC=NC1)n[nH]2)C=CC3S4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003518
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   18.8856    8.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2483    8.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2483   10.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0359    8.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7570    8.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8201    7.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4201    7.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7202    6.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6202    5.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8368    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0492    1.8312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    2.7681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4201    5.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8201    5.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5201    6.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8896    6.7629    0.0000 S   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  4  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  2  0  0  0  0
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 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
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 20 17  1  0  0  0  0
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 22 21  2  0  0  0  0
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 26 10  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28  8  1  0  0  0  0
 29 28  1  0  0  0  0
 29  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003518-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
    5.8776    1.3909   -1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    0.2829   -1.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7913   -0.9966   -1.6402 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3440   -1.5409   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5115   -1.0234    0.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9277   -2.8860   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5131   -3.7511   -1.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3450   -5.1391   -0.5299 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9412   -6.3788   -1.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7086   -7.5410   -0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8326   -8.8140   -0.9990 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5972  -10.7077   -7.3769 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0618   -9.3839   -7.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8339   -8.3065   -8.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2507   -8.4231   -7.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1430  -10.7737   -7.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6121   -3.5953    1.3769 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4861  -11.3041   -8.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7925   -6.3082    2.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6464   -4.8568    1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 33  1  0  0  0  0
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M  END
$$$$