Molecule FYI-1006397

A

Molecule Summary:

ID: FYI-1006397
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-1006397 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-1006397
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
   12.6370    8.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0371    5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6997    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1245    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 27  1  0  0  0  0
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 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006397-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    2.1257    1.1090   -0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    0.0316    0.3074 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    0.6299    0.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8794   -0.2485    1.6612 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3461   -2.3702   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1764   -3.5856   -1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962   -4.6870   -0.4157 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.8282   -2.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -5.0558   -3.0333 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.1948   -8.6200   -5.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422   -9.5634   -5.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6809  -13.2648   -7.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5420  -11.3556   -5.9377 N   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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