Molecule FYI-1002204

A

Molecule Summary:

ID: FYI-1002204
Names:
InChIKey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
SMILES: N#Cc2nn(c1c(Cl)cc(C(F)(F)F)cc1Cl)c(N)c2S(=O)C(F)(F)F

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002204 Edit

Molecule Structure InChIKey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc2nn(c1c(Cl)cc(C(F)(F)F)cc1Cl)c(N)c2S(=O)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002204
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.7008    4.3266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1040    4.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    3.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    5.4608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8056    5.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8056    3.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492    3.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3032    1.8592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492    5.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1972    5.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1040    6.7588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1972    3.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1040    1.9061    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    2.8063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4149    5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9105    4.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1987    3.4963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923    6.6769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3137    4.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8064    1.4033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3137    5.7298    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    4.3266    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3137    2.9233    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  3  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002204-3D
FYIcenter.com

 30 31  0     1  0  0  0  0  0999 V2000
   -0.7085   -1.0266   -2.3309 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2878    1.6942    2.3796 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0127   -0.1727    0.9346 S   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7414   -1.0947   -1.1876 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8026   -1.0829    0.9804 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0570    0.7743   -0.1217 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0299   -1.6380   -1.2663 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1393   -2.6093    0.4645 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3085   -2.3707    0.3375 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0665    0.7302    0.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582    0.5417    0.0593 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671    1.6482   -0.5173 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883   -1.4081    1.2631 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290    3.4128   -1.1858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116    0.3149    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096   -0.2549    0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    0.3722    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791    1.5384   -0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717   -0.3996   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    0.8018    1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8631   -0.1400   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0474   -0.6270   -1.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    0.5746    1.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3340   -0.3831   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249   -1.7633    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303    2.5676   -0.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4815   -1.1843   -1.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9461    0.9513    1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -1.9957    1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0651   -1.7478    1.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  3 17  1  0  0  0  0
  3 25  1  0  0  0  0
  4 24  1  0  0  0  0
  5 24  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 25  1  0  0  0  0
  9 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 26  3  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 3552👍, 0💬