Molecule FYI-1001661

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Molecule Summary:

ID: FYI-1001661
SMILES: BrC1=CC=C(NN[S](=O)(=O)C2=CON=C2)C=C1

Received at FYIcenter.com on: 2022-10-26

Molecule ID: FYI-1001661 Edit

Molecule Structure SMILES String: BrC1=CC=C(NN[S](=O)(=O)C2=CON=C2)C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001661
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
   10.7028    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.0000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 11  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001661-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.5731   -0.0977   -0.1952 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -0.0814   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599    0.9360    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3584    0.9615    0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -0.0219    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137   -0.0032    0.0836 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680   -1.1867   -0.0221 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9103   -1.0205   -0.7290 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611   -2.3152   -0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7631   -0.2865   -1.9541 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734   -0.0297    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364   -0.2599    1.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9987    0.7728    1.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1488    1.6995    0.9667 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    1.1923   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.0571   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0498   -1.0803   -0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886    1.7207    1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406    1.7753    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9766    0.8931    0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9127   -2.0756   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0502   -1.0507    2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4572    1.7512   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -1.8318   -1.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554   -1.8773   -1.2660 H   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
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-16, 2178👍, 0💬