Molecule FYI-1009276

A

Molecule Summary:

ID: FYI-1009276
Names:
InChIKey: FBYQJSDTRHCMQL-UHFFFAOYSA-N
SMILES: O=S(=O)(Nc2c1ccccc1nc3ccccc23)c5ccc4CCCCc4c5

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

Molecule ID: FYI-1009276 Edit

Molecule Structure InChIKey: FBYQJSDTRHCMQL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(Nc2c1ccccc1nc3ccccc23)c5ccc4CCCCc4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1009276
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
    5.5497    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    6.1124    0.0000 O   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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   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
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  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  2  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18  5  1  0  0  0  0
 18 13  2  0  0  0  0
 19  2  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  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  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009276-3D
FYIcenter.com

 48 52  0  0  0  0  0  0  0  0999 V2000
    1.0859    0.1351    0.3541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134   -0.0197    0.1745 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -0.1310    1.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.3489   -0.8540 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3115   -2.6434   -0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0022   -3.0338   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160   -2.2504   -1.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1666   -2.7010   -1.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5821   -3.9494   -1.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7051   -4.7430   -0.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711   -4.3098   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405   -5.1528    0.3121 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -4.7764    0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3119   -5.7036    1.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5912   -5.4141    1.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379   -4.1645    1.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4137   -3.2246    0.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154   -3.5137    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0651    1.3588   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    2.2368   -0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4484    3.3178   -1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    3.5298   -2.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3415    4.7296   -3.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9451    4.6520   -4.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4867    4.2368   -4.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2722    2.8423   -4.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925    2.6605   -2.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    1.5689   -2.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8326   -1.3910   -1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4191   -1.2690   -1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5813   -4.3113   -1.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1975    4.0065   -0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8931    5.6274   -2.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1074    5.6246   -5.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1892    4.2414   -5.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476    4.9642   -4.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    2.0962   -4.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    2.6463   -4.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7176    0.8946   -2.4421 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 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

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