Molecule FYI-1008486

A

Molecule Summary:

ID: FYI-1008486
Names:
InChIKey: BNXUBXYRKQZNMR-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c4ccc(CCn3c(SCC(=O)Nc1cccc(F)c1)nc2ccccc2c3=O)cc4

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008486 Edit

Molecule Structure InChIKey: BNXUBXYRKQZNMR-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c4ccc(CCn3c(SCC(=O)Nc1cccc(F)c1)nc2ccccc2c3=O)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1008486
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   14.5492    7.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    0.0000    0.0000 O   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 23 13  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
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  2  0  0  0  0
 35 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008486-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    9.7203   -1.2848    1.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1213   -1.8004    1.1813 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4796   -0.9893    0.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2038   -3.2394    1.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064   -1.3515    2.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5440   -0.0203    3.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0567    0.3155    4.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227   -0.6749    5.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8980   -0.3025    6.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3972   -0.0069    6.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6965    0.6159    7.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569    1.4369    7.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    0.6006    6.6293 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181    1.8426    5.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    1.9638    4.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332    1.5142    3.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151    2.6025    4.2302 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1687    2.8033    3.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    2.7902    1.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051    2.9640    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9622    3.1421    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4091    3.1755    2.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    3.3372    2.5497 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5264    3.0276    3.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518    2.7286    7.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9987    3.2752    7.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    4.4898    6.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7212    4.9385    7.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6040    4.2082    7.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1868    3.0180    8.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8988    2.5573    8.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5294    1.1620    8.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0186    0.5401    9.4599 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5114   -2.0093    4.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -2.3508    3.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9737   -0.8550    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3255   -2.0609    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9484    0.7509    2.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0902    1.3569    4.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4423    0.5706    6.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0479   -1.0953    7.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569   -0.9251    6.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2814    0.6643    5.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    2.8199    6.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6052    1.4902    5.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    2.8215    5.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6606    2.6665    1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316    2.9505   -0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6664    3.2506    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9326    3.0426    4.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7427    5.0580    6.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    5.8506    6.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6282    4.5492    8.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8800    2.4110    9.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1126   -2.7865    5.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9915   -3.3914    3.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  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 35  2  0  0  0  0
  6  7  2  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  2  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 55  1  0  0  0  0
 35 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1350👍, 0💬