Molecule FYI-1013957

A

Molecule Summary:

ID: FYI-1013957
Names:
InChIKey: GXHPIQVVBOTMRP-WEVVVXLNSA-N
SMILES: CS(=O)(=O)/C=C/CNC(=O)c2cc(C1CCCCC1)n[nH]2

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013957 Edit

Molecule Structure InChIKey: GXHPIQVVBOTMRP-WEVVVXLNSA-N

Molecule Structure SMILES String: CS(=O)(=O)/C=C/CNC(=O)c2cc(C1CCCCC1)n[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013957
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   14.8798    0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    1.6834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9674    0.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4548    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1769    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8228    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013957-3D
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
    4.4189   -7.5591   -3.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819   -7.1473   -1.9541 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -7.0080   -1.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5178   -8.0921   -1.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3610   -5.5982   -2.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424   -4.4626   -2.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1735   -3.0610   -2.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6140   -3.0412   -2.1333 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3254   -3.1412   -3.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7856   -3.2270   -4.4053 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550   -3.1760   -3.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5806   -3.1414   -2.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9011   -3.2175   -2.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1820   -3.2143   -1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2287   -4.4215   -0.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4284   -4.3844    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4946   -3.0682    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5411   -1.8832   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3450   -1.8831   -1.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9066   -3.3014   -3.8905 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6020   -3.2793   -4.2224 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6186   -2.9784    1.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4710   -1.9142   -0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1708👍, 0💬