Molecule FYI-1009247

A

Molecule Summary:

ID: FYI-1009247
Names:
InChIKey: XYTSLADCYXPRPJ-UHFFFAOYSA-N
SMILES: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=O)NNC(=S)NCOc1ccccc1)ccc23

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009247 Edit

Molecule Structure InChIKey: XYTSLADCYXPRPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=O)NNC(=S)NCOc1ccccc1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009247
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9742    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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 10  9  1  0  0  0  0
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 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 21  8  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009247-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9434   -0.1022   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -0.0758    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928    1.1609    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    2.2225    0.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    1.1944    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0579    2.2816    0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003   -0.0238    0.5110 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6425    0.0207    0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5296   -1.2631    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2342   -2.4847    0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -3.7003    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -5.1986    0.1432 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -5.1132   -0.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8933   -5.3976    1.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -6.4901   -0.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222   -6.9331    0.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402   -7.6835    1.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8504   -7.3963    3.0996 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975   -8.5356    1.5776 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5665   -9.0674    2.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9447  -10.2455    3.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6141  -10.8275    4.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396  -10.1470    5.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1114  -10.8411    6.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9482  -12.2169    6.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0939  -12.8960    5.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4219  -12.2015    4.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -3.7080   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4780  -12.7549    7.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9531  -13.9681    5.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7567  -12.7408    3.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -4.6158   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329   -2.5705   -0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
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 23 43  1  0  0  0  0
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 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
$$$$

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