Molecule FYI-1006396

A

Molecule Summary:

ID: FYI-1006396
Names:
InChIKey: LBQSNZZYIWUKTQ-UHFFFAOYSA-N
SMILES: CS(=O)(=O)C4=CC(Cl)=C(C(O)Nc3ccc(c1ccccn1)c(c2ccccn2)c3)CC4

Received at FYIcenter.com on: 2023-12-14

Molecule ID: FYI-1006396 Edit

Molecule Structure InChIKey: LBQSNZZYIWUKTQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)C4=CC(Cl)=C(C(O)Nc3ccc(c1ccccn1)c(c2ccccn2)c3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006396
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   14.5495    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    6.9999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0371    5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006396-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    4.5242    0.3235   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -0.0206   -0.1915 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738    1.2588    0.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495   -0.9404   -0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7562   -2.1745    1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337   -2.9132    2.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465   -4.6288    2.1281 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 32 54  1  0  0  0  0
M  END
$$$$

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2023-12-29, 605👍, 0💬