Molecule FYI-1004265

A

Molecule Summary:

ID: FYI-1004265
Names:
InChIKey: OFKKYANUWWGISN-UHFFFAOYSA-N
SMILES: Cc3ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc1ccc(F)cc1)n2)cc3

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004265 Edit

Molecule Structure InChIKey: OFKKYANUWWGISN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc1ccc(F)cc1)n2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004265
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.0000    0.0000 Cl  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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   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
    2.4249    4.9000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   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
   10.9119    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    4.2000    0.0000 O   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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    5.4124    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  3  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 16  1  0  0  0  0
 19 18  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 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 26 16  2  0  0  0  0
 27 15  1  0  0  0  0
 28 27  2  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004265-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    3.0176   -4.1482    0.4195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -1.4739   -0.1397 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4508    3.9276   -0.0153 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8998   -1.5916   -1.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3670   -2.0122    0.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498   -1.5480   -1.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1439   -1.4561   -0.2654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037   -3.5195    0.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6036   -0.0517    0.3272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2156    0.2258    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5139    0.9515    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209   -2.2306    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9041    1.5038   -1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3386    1.0768    1.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9435    2.3071   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1189    2.1816   -1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5533    1.7547    1.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412   -2.0647   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2425    3.0316   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946   -3.3791    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3256   -4.0648    0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827   -1.2150   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5864    0.9648    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023    0.8726   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380    2.0581    1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5698    1.8735   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5054    3.0591    1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5214    2.9668    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7971    0.3016    1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    0.6258   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.4140   -1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0460    0.6522    2.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4111    2.6091   -2.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1863    1.8474    2.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9808    2.6276    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6672    2.9317   -1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0989    4.0949    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323   -5.1039    0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971    0.0968    1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    0.0586   -1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    2.1424    1.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3617    1.8031   -1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4683    3.9105    1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 28  1  0  0  0  0
  6 22  2  0  0  0  0
  7 12  1  0  0  0  0
  7 18  2  0  0  0  0
  8 12  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 21 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1257👍, 0💬