Molecule FYI-1013987

A

Molecule Summary:

ID: FYI-1013987
Names:
InChIKey: CSSNFDMQRCWGAX-XBXARRHUSA-N
SMILES: CS(=O)(=O)/C=C/CNC(=O)c2cc(c1ccccc1C(F)(F)F)n[nH]2

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013987 Edit

Molecule Structure InChIKey: CSSNFDMQRCWGAX-XBXARRHUSA-N

Molecule Structure SMILES String: CS(=O)(=O)/C=C/CNC(=O)c2cc(c1ccccc1C(F)(F)F)n[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013987
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   14.8798    3.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    4.0152    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    5.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9674    2.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4548    4.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    4.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    4.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    4.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    4.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    4.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    2.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    2.6229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    4.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101    1.8484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    0.7095    0.0000 F   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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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  2  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
 15 11  1  0  0  0  0
 16 13  1  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
 21 20  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013987-3D
FYIcenter.com

 39 40  0  0  0  0  0  0  0  0999 V2000
    4.4102    5.1175    6.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398    5.4902    4.7820 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1934    5.5463    4.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4334    6.6225    4.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3615    4.0889    4.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673    3.0272    3.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2191    1.7446    3.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6587    1.7451    3.1795 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3838    1.3598    4.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511    0.9564    5.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8026    1.5089    4.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6473    1.9077    3.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9648    1.8326    3.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2284    2.1159    3.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2511    3.1768    2.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4288    3.5530    1.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6120    2.8899    1.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6040    1.8260    2.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4137    1.3961    3.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5328    0.1558    4.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3955   -0.4479    4.5511 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1842   -0.8382    3.4367 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3016    0.3674    5.2322 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9215    1.5198    4.9871 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6335    1.2277    5.2159 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9141    5.9589    7.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4116    4.9880    6.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150    4.2122    6.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4410    4.1381    4.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773    3.0579    3.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916    1.6138    2.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.8989    3.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    2.1147    2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3748    2.1999    2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3470    3.7412    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4214    4.3735    0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5396    3.1922    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5411    1.3068    2.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3671    0.8541    6.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  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  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1296👍, 0💬