Molecule FYI-1016372

A

Molecule Summary:

ID: FYI-1016372
Names:
InChIKey: GCGKMZSFIDVTAR-UHFFFAOYSA-N
SMILES: COc3ccc(SC(=O)c2nc1ccc(OC)cc1s[nH]2)cc3

Received at FYIcenter.com on: 2025-12-10

Molecule ID: FYI-1016372 Edit

Molecule Structure InChIKey: GCGKMZSFIDVTAR-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(SC(=O)c2nc1ccc(OC)cc1s[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016372
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    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
    2.4250    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2999    0.0000 O   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
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    4.2000    0.0000 S   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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  3 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016372-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.2871    0.6773   -5.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1400   -0.5266   -5.9644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530   -1.6368   -5.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8888   -1.7489   -5.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751   -2.9925   -5.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373   -4.1381   -5.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781   -5.8157   -5.7818 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3186   -5.8354   -5.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0639   -4.8949   -5.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6636   -7.3061   -4.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4615   -8.3129   -5.7071 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8323   -9.6260   -5.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0979  -10.6366   -6.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5446  -11.9032   -5.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7118  -12.1957   -4.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959  -13.4432   -4.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2715  -13.8025   -2.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4117  -11.2153   -3.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9776   -9.9538   -3.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7342   -8.6826   -2.6645 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942   -7.4316   -3.6403 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003   -3.9922   -6.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -2.7651   -6.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5059    1.4231   -5.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    1.0662   -5.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    0.5458   -4.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473   -0.8961   -4.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5268   -3.0249   -4.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786  -10.4449   -7.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750  -12.6689   -6.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0698  -13.2503   -2.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5116  -14.8686   -2.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3110  -13.6558   -2.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5358  -11.3918   -2.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2900   -7.5629   -3.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -4.8439   -6.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -2.7017   -6.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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