Molecule FYI-1009241

A

Molecule Summary:

ID: FYI-1009241
Names:
InChIKey: XOJYCNMEMLJQKR-UHFFFAOYSA-N
SMILES: CC(=O)NNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009241 Edit

Molecule Structure InChIKey: XOJYCNMEMLJQKR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009241
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009241-3D
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.1367   -0.0240   -0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6363   -0.0611   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    0.9283   -0.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521   -1.3232   -0.4551 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5834   -1.4946   -0.4454 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1948   -3.0356   -0.1818 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7612   -3.4375    1.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669   -3.8284   -1.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605   -2.9043   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6426   -1.7076   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0361   -1.7093   -0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656   -2.9011    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0719   -4.1242    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6681   -4.1001    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7948   -5.3425    0.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1634   -6.6513    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1915   -5.3671    0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8429   -6.4086    0.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -4.0336    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1661   -4.0453    0.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854   -2.8696    0.0749 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9016   -1.6032    0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725    0.9593   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -0.2192    0.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7067   -0.7808   -1.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687   -2.1457   -0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1572   -0.6533   -0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   -0.7625   -0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5345   -0.7484   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0745   -4.9998    0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0766   -6.6430    0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4766   -7.1934    1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5174   -7.2093   -0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9850   -1.7395    0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5955   -0.9942    0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6874   -1.0817   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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2024-05-16, 962👍, 0💬