Molecule Editor

Molecule ID: FYI-1015616 Edit

Molecule Structure InChIKey: FGWNUULOATWTKV-OOAXWGSJSA-N

Molecule Structure SMILES String: COCC(C(=O)/C(=N/O)c1nsc(N)n1)c4cccc(OC3=CC(C2C=CNC=C2)=CC3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015616
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5879    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3755    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841    3.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9473    2.4915    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8708   12.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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 32 13  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015616-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
    6.6343   -1.5047   -0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4632   -0.7312   -0.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6414    0.0987    0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    0.9197    1.0480 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1943    0.0109    1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3067   -1.0794    1.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999    0.5192    1.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285    1.2541   -0.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    1.7587   -0.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.1327    1.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566   -0.1190    1.3105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5857   -0.5059    2.5539 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -0.3824    3.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726   -0.6394    5.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919   -0.0290    3.2355 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765    1.9032    2.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0292    2.6077    6.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$