Molecule FYI-1007599

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A

Molecule Summary:

ID: FYI-1007599
Names:
InChIKey: MIWJYBUKIKCOGI-UHFFFAOYSA-N
SMILES: C=c2c(=O)c1c(C)scc1c2=C(C#N)C#N

Received at FYIcenter.com on: 2024-03-05

Molecule ID: FYI-1007599 Edit

Molecule Structure InChIKey: MIWJYBUKIKCOGI-UHFFFAOYSA-N

Molecule Structure SMILES String: C=c2c(=O)c1c(C)scc1c2=C(C#N)C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1007599
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.6252    5.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7051    4.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    5.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200    4.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1271    3.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    4.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0288    2.1822    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6609    1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6068    3.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1684    3.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010    6.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    7.2560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3067    5.4065    0.0000 H   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
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  3  0  0  0  0
 14 11  1  0  0  0  0
 15 14  3  0  0  0  0
 16  3  2  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007599-3D
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.1501    0.2361   -0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739    0.0402   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3962    1.2571   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0923    2.4348   -0.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126    0.6610   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9920    1.1579   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4963    2.5558   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1314   -0.1360   -0.1227 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8965   -1.3339   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6575   -0.7557   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834   -1.2099   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8613   -2.4922   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8930   -3.6084   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -4.5344   -0.0874 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051   -2.9081   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994   -3.2605   -0.0641 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406    1.2453   -0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108   -0.5546   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6797    3.2817   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058    2.7401   -1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1179    2.7379    0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2039   -2.3698   -0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  3  0  0  0  0
M  END
$$$$

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2024-03-17, 1206👍, 0💬