Molecule FYI-1008632

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A

Molecule Summary:

ID: FYI-1008632
Names:
InChIKey: QNQYWRGKNUEPMN-UHFFFAOYSA-N
SMILES: C#CCNS(=O)(=O)c1c(C)onc1N

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

Molecule ID: FYI-1008632 Edit

Molecule Structure InChIKey: QNQYWRGKNUEPMN-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNS(=O)(=O)c1c(C)onc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008632
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.7433    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    4.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074    1.5612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.9710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    5.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   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
    0.0000    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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  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  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008632-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    0.2692   -0.8474   -1.1053 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7111    0.2649    1.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511   -2.1878   -0.5818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0246   -0.6471   -2.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    0.1113   -0.6718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    1.4739    0.5817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9667    2.1565   -1.1176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331   -0.0775   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255   -0.6510    0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036    1.2449   -0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047   -1.9935    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    0.2169    0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4701    0.3949    0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6586    0.5412    0.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470    0.9785   -1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745   -2.2411    1.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214   -2.0633    2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821   -2.7473    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    1.0698    1.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313   -0.6846    1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061    1.9411   -1.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    3.1108   -1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7127    0.6709    1.0036 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 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  3  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1336👍, 0💬