Molecule FYI-1013108

A

Molecule Summary:

ID: FYI-1013108
Names:
InChIKey: DLBVKCUIFZJSAD-UHFFFAOYSA-N
SMILES: N=S(=O)(Cc1cc(F)cc(F)c1)c3nc2ccccc2s3

Received at FYIcenter.com on: 2024-11-13

Molecule ID: FYI-1013108 Edit

Molecule Structure InChIKey: DLBVKCUIFZJSAD-UHFFFAOYSA-N

Molecule Structure SMILES String: N=S(=O)(Cc1cc(F)cc(F)c1)c3nc2ccccc2s3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013108
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    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
    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
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6038    2.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9161    2.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1498    4.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0712    5.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7590    4.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8828    0.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3048    6.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9946    1.9707    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 10 18  2  0  0  0  0
 10 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013108-3D
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.9945   -0.0512    0.3248 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.0199   -0.0006 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.1042   -0.3555   -1.2777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2159    1.5075    0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489    2.6922   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    3.6338    0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480    4.7405    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    5.6268    0.8538 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3246    4.9423   -1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0217    4.0208   -2.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1078    4.2006   -3.3657 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6377    2.9098   -1.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1219   -1.2408    1.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -1.0256    2.1077 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521   -2.2260    2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1351   -2.4102    3.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2995   -3.6823    4.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929   -4.7707    3.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7123   -4.6181    2.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616   -3.3390    2.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832   -2.8508    0.9381 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755    0.5417   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893    1.5049    0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660    1.5466    1.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    3.5268    1.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    5.8032   -1.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1806    2.2262   -2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6867   -1.5621    4.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -3.8190    5.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7271   -5.7542    4.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626   -5.4697    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-11-23, 693👍, 0💬