Molecule FYI-1008708

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A

Molecule Summary:

ID: FYI-1008708
Names:
InChIKey: KGUFEZNMGTWTIO-UHFFFAOYSA-N
SMILES: CC(C)S(C)(=O)=NC(=O)Cc1ncc[nH]1

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

Molecule ID: FYI-1008708 Edit

Molecule Structure InChIKey: KGUFEZNMGTWTIO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)S(C)(=O)=NC(=O)Cc1ncc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008708
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.4904    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    0.4711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008708-3D
FYIcenter.com

 30 30  0     1  0  0  0  0  0999 V2000
    2.6286   -0.4023    0.1103 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.1024   -0.6873    1.4532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049   -1.0366    1.2122 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   -1.0490   -0.5640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3952    0.9851   -0.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3640   -0.9692    0.0475 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    1.3609    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6416    1.8735    1.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325    1.7316   -1.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0015   -0.6816   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -1.0401   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618   -1.0466   -0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2910   -0.3769   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6124    1.2801    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1918    0.0582    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4246    1.7970    0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    1.4778    1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657    2.9659    1.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    1.6122    2.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6838    1.4246   -1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2371    1.3041   -2.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418    2.8205   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753   -1.7375   -0.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8440   -0.0688   -0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221   -0.4310   -2.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649   -0.5428   -1.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -2.0902   -1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001    1.6539   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417    2.2971    0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1627   -0.1339    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 28  1  0  0  0  0
  6 13  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  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 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

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2024-04-29, 182👍, 0💬