Molecule FYI-1002261

A

Molecule Summary:

ID: FYI-1002261
Names:
InChIKey: ABPJHZXPRXSEKC-UHFFFAOYSA-N
SMILES: O=C(C3=C(c1ccccc1)N(c2ccccc2)C(=S)NC3c4ccccc4)c5ccccc5

Received at FYIcenter.com on: 2023-02-13

Molecule ID: FYI-1002261 Edit

Molecule Structure InChIKey: ABPJHZXPRXSEKC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(C3=C(c1ccccc1)N(c2ccccc2)C(=S)NC3c4ccccc4)c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002261
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.5895    2.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7860    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9826    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1791    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2023    1.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002261-3D
FYIcenter.com

 55 59  0  0  1  0  0  0  0  0999 V2000
    2.4205   -0.4355    1.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784    0.2381    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -0.2291   -1.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942   -1.0611   -1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6952   -1.7132    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2072   -2.9935    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -3.6750    1.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6334   -3.0949    2.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824   -1.8024    2.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786   -1.0955    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9895   -1.4173   -2.4310 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5983    0.1940   -2.5375 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-03-17, 2387👍, 0💬