Molecule FYI-1007733

A

Molecule Summary:

ID: FYI-1007733
Names:
InChIKey: LTOVYDBYJIJWFE-UHFFFAOYSA-N
SMILES: CC(C)(C)Sc2ccc(C(=O)c1ccc(SC(C)(C)C)cc1)cc2

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007733 Edit

Molecule Structure InChIKey: LTOVYDBYJIJWFE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)Sc2ccc(C(=O)c1ccc(SC(C)(C)C)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007733
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.9747   10.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.3124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007733-3D
FYIcenter.com

 50 51  0     0  0  0  0  0  0999 V2000
   -5.3200   -0.4110    0.8279 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0934   -0.6850   -1.1339 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    3.5904    0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1006   -1.8806   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -1.7553    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8560   -1.4057   -1.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012   -2.6863    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3762   -2.7250   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316   -0.8735    1.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4984   -2.6079    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9950   -2.6510    0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2410    1.6067   -0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
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  9 35  1  0  0  0  0
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 10 37  1  0  0  0  0
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 13 19  1  0  0  0  0
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 14 21  2  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  2  0  0  0  0
 15 24  1  0  0  0  0
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 16 43  1  0  0  0  0
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 21 47  1  0  0  0  0
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 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 894👍, 0💬