Molecule FYI-1013670

A

Molecule Summary:

ID: FYI-1013670
Names:
InChIKey: VEZBPFUUMDZXBX-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c5cc(c1ncccc1C2CC2)n4ncc(C3CCCCC3)c4n5

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013670 Edit

Molecule Structure InChIKey: VEZBPFUUMDZXBX-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)c5cc(c1ncccc1C2CC2)n4ncc(C3CCCCC3)c4n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013670
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
    7.5836    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1510    1.3314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8195    0.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6552    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2224    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1593    6.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7267    7.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6635    8.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0328    8.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4655    6.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287    5.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9613    4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0017    3.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    3.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    6.5383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3490    2.9540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  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  1  0  0  0  0
 27 20  2  0  0  0  0
 27 17  1  0  0  0  0
 28 27  1  0  0  0  0
 28  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013670-3D
FYIcenter.com

 52 56  0  0  0  0  0  0  0  0999 V2000
    4.3651   -0.5967    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9198    0.0457   -0.0214 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947   -0.9764   -0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    1.3611    0.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    0.2969   -1.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555    1.6955   -2.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9889    1.8819   -3.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860    3.2481   -3.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    3.8967   -3.6014 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    5.1571   -4.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739    5.8184   -4.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3098    5.1428   -5.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    3.8281   -4.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936    3.0981   -5.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969    3.8662   -5.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587    2.9071   -4.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769    0.7874   -4.1742 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0445    0.7739   -5.4068 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3047   -0.5065   -5.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8994   -1.3690   -4.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0237   -2.8647   -4.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726   -3.5868   -4.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8490   -5.0915   -4.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679   -5.6834   -3.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984   -4.9331   -3.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0132   -3.4259   -3.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011   -0.5144   -3.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136   -0.7459   -2.3732 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1315   -0.7352    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1764    0.1267    0.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   -1.5524    0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0637    2.4978   -1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3206    5.6364   -3.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6534    6.8346   -5.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5842    5.6509   -5.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449    2.2722   -5.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    3.5929   -6.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4578    4.9204   -5.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903    1.9839   -4.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326    3.3252   -3.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7769   -0.7718   -6.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4308   -3.1141   -5.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -3.1966   -5.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200   -3.4085   -3.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1785   -5.2765   -5.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8850   -5.5989   -4.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0351   -6.7394   -4.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4601   -5.6512   -2.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6891   -5.1140   -4.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8659   -5.3303   -3.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861   -2.9281   -3.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -3.2324   -2.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 640👍, 0💬