Molecule FYI-1008631

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A

Molecule Summary:

ID: FYI-1008631
Names:
InChIKey: PJQJXRYOXLGANZ-UHFFFAOYSA-N
SMILES: CCNS(=O)(=O)c1c(N)noc1C

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008631 Edit

Molecule Structure InChIKey: PJQJXRYOXLGANZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNS(=O)(=O)c1c(N)noc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008631
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.0291    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281    4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    0.0000 N   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008631-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
   -0.8582    0.5242   -1.0467 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538    0.1375    0.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882    1.9313   -0.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736    0.0457   -2.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -0.4037   -0.1992 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740   -1.1945    0.5533 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -2.3253   -0.6736 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439    0.0552   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    0.8717    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1781   -0.2304    1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269   -1.2190   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    2.3122    0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180   -0.5049    1.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422   -1.3732   -0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5146   -0.9255    1.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9176    0.7898    1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    2.6052    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649    2.5893    1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295    2.8919   -0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2985    0.1822    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9088   -1.5258    1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -0.3827    2.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2145   -2.3018   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0812   -3.2431   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 176👍, 0💬