Molecule Editor

Molecule ID: FYI-1015051 Edit

Molecule Structure InChIKey: OTHUOOQKGOOEES-QZQOTICOSA-N

Molecule Structure SMILES String: O=S(=O)(O)c3cccc(C(/N=N/c1ccccn1)c2ccccn2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015051
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.0871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.7000    0.0000 N   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
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25  9  2  0  0  0  0
 25  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015051-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    5.0129    1.8374    0.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2765    2.3530   -0.8673 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0708    3.7467   -1.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8344    2.0497   -1.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650    1.3743   -2.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0521    1.7433   -2.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142    0.9700   -3.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8962   -0.1483   -3.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348   -0.5003   -3.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120   -1.6704   -4.2841 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9518   -2.7306   -4.6708 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -3.6360   -3.8177 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -4.5940   -4.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0168   -5.9092   -3.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669   -6.8522   -4.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0032   -6.4545   -4.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293   -5.1247   -5.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8299   -4.1888   -4.9945 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7014   -1.2368   -5.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0660   -0.5901   -6.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7733   -0.3574   -7.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0957   -0.7686   -7.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6675   -1.3735   -6.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0088   -1.6122   -5.5942 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640    0.2711   -2.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3678    2.5358   -0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021    2.6217   -1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854    1.2361   -3.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -0.7454   -4.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6391   -2.1033   -3.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586   -6.1930   -3.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587   -7.8867   -3.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489   -7.1629   -5.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -4.7628   -5.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224   -0.3001   -6.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2856    0.1189   -8.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6638   -0.6289   -8.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7009   -1.7077   -6.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9947    0.0064   -2.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
$$$$