Molecule FYI-1014896

A

Molecule Summary:

ID: FYI-1014896
Names:
InChIKey: GNZCSGYHILBXLL-UHFFFAOYSA-N
SMILES: CC(C)(C)Nc2nc1cc(Cl)c(Cl)cc1nc2S(C)(=O)=O

Received at FYIcenter.com on: 2025-06-06

Molecule ID: FYI-1014896 Edit

Molecule Structure InChIKey: GNZCSGYHILBXLL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)Nc2nc1cc(Cl)c(Cl)cc1nc2S(C)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014896
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.6746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  6  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014896-3D
FYIcenter.com

 36 37  0     0  0  0  0  0  0999 V2000
   -4.8416    2.1001    0.0338 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3380   -1.0988   -0.0115 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1615   -2.3396   -0.0551 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3943   -2.7337   -1.4408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884   -1.8946    0.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4539    0.7268   -0.0127 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084    1.1003    0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174   -1.6450   -0.0366 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    2.1150    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2658    2.2841    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330    2.7493   -1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387    2.7197    1.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1329    0.2286   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230   -1.1245   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1395    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -0.7903   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419   -3.7340    0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382    1.4558    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6616   -1.2732   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5417    0.9623    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7543   -0.4081   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1477    0.1088   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7146    1.8390   -0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5489    3.3423    0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223    1.7960    0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470    2.8659   -1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3825    2.1802   -2.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5306    3.7626   -1.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902    2.1273    2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    3.7281    1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0529    2.8397    1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078   -4.5096    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1323   -3.4254    1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963   -4.1138    0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665    2.5314    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241   -2.3503   -0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 766👍, 0💬