Molecule FYI-1012660

Home > Molecule

A

Molecule Summary:

ID: FYI-1012660
Names:
InChIKey: BEIZIEZPGSIQGR-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc2ccc(Oc1ccc(F)cc1)s2

Received at FYIcenter.com on: 2024-10-06

Molecule ID: FYI-1012660 Edit

Molecule Structure InChIKey: BEIZIEZPGSIQGR-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Nc2ccc(Oc1ccc(F)cc1)s2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012660
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.8531    6.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    7.4928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3407    8.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    6.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.1928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    7.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    8.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    4.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    6.1005    0.0000 S   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  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
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 18  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012660-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
    4.5848   -0.5479    0.2402 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160    1.6462    0.4103 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8836   -1.3269   -0.3600 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969    1.3421    0.6693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    0.0241    1.5685 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1154   -1.9049    0.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    0.5411   -0.7778 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2566    0.5015   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340    0.8425    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4137   -0.4557   -1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0599   -0.2468   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1826   -0.4256   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.6795    0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7767   -0.3472    1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309    1.0284   -0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9675   -1.0249    0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3217    0.3507   -0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7400   -0.6760   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0403    1.5084   -0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445   -1.2686   -1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481   -0.8958   -0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8705   -1.0729    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068   -0.7588   -1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5246    0.6096   -0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809   -0.6237    2.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123    1.8282   -1.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2936   -1.8241    1.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9234    0.6223   -1.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 1703👍, 0💬