Molecule FYI-1008861

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A

Molecule Summary:

ID: FYI-1008861
Names:
InChIKey: WHZIZZOTISTHCT-UHFFFAOYSA-N
SMILES: NC(=O)c1ccsc1N

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

Molecule ID: FYI-1008861 Edit

Molecule Structure InChIKey: WHZIZZOTISTHCT-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c1ccsc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008861
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.6407    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    3.6222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 S   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
    2.0695    0.2911    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008861-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -2.3899    0.3699   -0.0019 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1501    0.9856   -0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056    2.1652    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2973   -1.2790    0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1081   -0.2305    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462    0.8502    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961   -1.4691   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616   -1.2879   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438   -0.1044    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1566   -2.4578   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284   -2.0498   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1113    2.8946    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590    2.4809    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967   -2.2099    0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3112   -1.2331   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

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2024-04-29, 136👍, 0💬