Molecule FYI-1006395

A

Molecule Summary:

ID: FYI-1006395
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-1006395 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-1006395
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
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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-1006395-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    3.7999    0.5910   -1.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    0.0047   -0.4082 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.5694    0.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844    0.2546   -0.8092 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4848   -4.7690   -2.3732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-12-29, 325👍, 0💬