Molecule FYI-1015052

A

Molecule Summary:

ID: FYI-1015052
Names:
InChIKey: OTHUOOQKGOOEES-QZQOTICOSA-N
SMILES: O=S(=O)(O)c3cccc(C(/N=N/c1ccccn1)c2ccccn2)c3

Received at FYIcenter.com on: 2025-06-19

Molecule ID: FYI-1015052 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-1015052
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-1015052-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
   -0.0692    1.5299    1.7553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244    2.3930    2.4944 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0994    3.7441    2.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185    2.5261    3.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3570    1.5395    2.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5293    2.0606    2.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349    1.4012    2.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    0.2525    3.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026   -0.2444    3.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477   -1.3855    4.8237 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8005   -2.2948    4.6176 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5416   -3.2831    3.8933 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6925   -4.0637    3.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5553   -5.4333    3.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6921   -6.1950    3.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9308   -5.5677    3.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9797   -4.2002    3.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959   -3.4378    3.5868 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408   -0.8734    6.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6466   -0.0277    6.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6613    0.3236    8.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747   -0.1630    8.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -0.9762    8.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557   -1.3385    7.0931 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817    0.3899    3.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301    3.0092    3.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137    2.9764    1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555    1.7949    1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7280   -0.2423    3.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227   -1.9679    4.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5767   -5.8989    3.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121   -7.2661    3.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8366   -6.1279    2.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9228   -3.6623    3.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4254    0.3443    6.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4505    0.9586    8.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6657    0.0728   10.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8983   -1.3819    9.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546    0.0065    3.9420 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
  5 25  2  0  0  0  0
  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
 21 36  1  0  0  0  0
 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
$$$$

✍: FYIcenter.com

2025-06-21, 1210👍, 0💬