Molecule FYI-1002688

A

Molecule Summary:

ID: FYI-1002688
Names:
InChIKey: IZVPWZQAMQFEGX-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c4c(F)c(F)c(Sc2snn3c1ccccc1nc23)c(F)c4F

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002688 Edit

Molecule Structure InChIKey: IZVPWZQAMQFEGX-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c4c(F)c(F)c(Sc2snn3c1ccccc1nc23)c(F)c4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002688
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.1187    2.3834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9063    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7600    0.2911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3905    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    3.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    1.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1187    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3311    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3310    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1186    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6937    6.5833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6938    3.7833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5435    3.7834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5434    6.5834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185    7.9834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    8.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9061    8.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185    9.3834    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  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  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  5  1  0  0  0  0
 13  8  1  0  0  0  0
  1 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002688-3D
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.7037    0.4932   -0.3532 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577   -0.1901    0.1644 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5973    0.8787    0.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -0.8064   -0.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -1.4412    1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141   -1.4407    2.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.4665    3.1123 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -2.4460    3.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653   -2.3663    4.7488 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7111   -3.4756    2.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636   -4.6118    4.1310 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6769   -6.1090    3.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4282   -7.6522    4.2727 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0476   -8.6429    3.8226 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.1067   -7.6878    3.2957 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -7.7871    2.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812   -8.7429    2.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187   -8.4147    2.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -7.1426    2.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9119   -6.0419    2.2691 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4644   -6.3339    2.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -5.4823    2.9377 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444   -6.3454    3.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468   -3.4691    1.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -4.3897    1.1180 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5817   -2.4635    0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793   -2.4635   -0.5098 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    1.5043   -0.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8948    0.2180   -1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1852   -9.7812    2.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921   -9.2415    2.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8140   -6.9090    1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302   -5.0133    2.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  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  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1936👍, 0💬