Molecule FYI-1004273

Home > Molecule

A

Molecule Summary:

ID: FYI-1004273
Names:
InChIKey: FQFSIIRWMHOOFT-UHFFFAOYSA-N
SMILES: O=S(=O)(CCc1ccccc1)Nc2ccccc2

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

Molecule ID: FYI-1004273 Edit

Molecule Structure InChIKey: FQFSIIRWMHOOFT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(CCc1ccccc1)Nc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004273
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    6.1124    0.0000 O   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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
    8.4871    4.2000    0.0000 C   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
    9.6995    6.3000    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  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004273-3D
FYIcenter.com

 33 34  0     0  0  0  0  0  0999 V2000
   -0.8980   -1.9172   -0.0863 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296   -3.2344    0.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675   -1.7428   -1.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1139   -1.2857    0.9525 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413   -0.8247    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7017   -1.1549   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8431   -0.2271   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8023   -0.0946    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918    0.9190   -1.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618   -0.5054    0.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600    1.1061    1.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7025   -0.1588   -0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0592    1.7868   -0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    0.3624    0.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9779    1.5085    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281    2.2608    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3706    0.9960   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1335    2.2058   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127    0.1932    0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434   -0.8897    1.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647   -1.1581   -1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -2.1848   -0.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824   -1.2968    1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815    1.1482   -1.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557   -1.3940    1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8556    1.1591    2.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072   -1.0969   -1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746    2.6796   -1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.1461    1.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8087    2.1844    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0433    3.2029    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0779    0.9526   -1.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6542    3.1048   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  2  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1988👍, 0💬