Molecule FYI-1003262

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A

Molecule Summary:

ID: FYI-1003262
Names:
InChIKey: SUVMJBTUFCVSAD-UHFFFAOYSA-N
SMILES: CS(=O)CCCCN=C=S

Received at FYIcenter.com on: 2023-05-30

Molecule ID: FYI-1003262 Edit

Molecule Structure InChIKey: SUVMJBTUFCVSAD-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)CCCCN=C=S

Download SDF Download SVG Structure in 2D SDF:

FYI-1003262
FYIcenter.com

 10  9  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
    8.4870    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 S   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003262-3D
FYIcenter.com

 21 20  0     1  0  0  0  0  0999 V2000
   -3.1196   -0.5263    0.5207 S   0  0  1  0  0  0  0  0  0  0  0  0
    4.8934   -0.9856    0.2115 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8644   -1.7904   -0.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198   -0.1561   -0.3776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119    0.4017    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889    1.4566   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9508    0.7198   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    1.1272    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5921    0.2512   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4141   -0.4981   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    0.3186    1.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428   -0.5821   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2173    2.4367    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    1.5330   -1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463    1.6898    0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449    0.7643   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5804    1.9312   -0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932    1.0968    1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7337    1.2382    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583   -0.3747    0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4858    0.3409   -1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  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
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2295👍, 0💬