Molecule FYI-1009390

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A

Molecule Summary:

ID: FYI-1009390
Names:
InChIKey: IJORCSDKGQHOJS-UHFFFAOYSA-N
SMILES: OCCc3csc(C2C=CC=C1OCCC12)n3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009390 Edit

Molecule Structure InChIKey: IJORCSDKGQHOJS-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCc3csc(C2C=CC=C1OCCC12)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009390
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    7.6843    7.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    6.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2593    7.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    6.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    6.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    5.8398    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    4.9185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    3.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2557    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 13  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009390-3D
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
    2.2039   -1.0501    2.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429   -1.4255    1.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0045   -0.3830    0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4652   -0.4102    0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458    0.3895    1.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7972   -0.0666    1.8717 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4707   -1.3315    0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5077   -2.3871    0.4390 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4644   -2.8340   -1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5615   -4.1211   -1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8262   -5.1608   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071   -4.9042    0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1036   -5.7824    1.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0665   -5.0198    3.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190   -3.5474    2.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2533   -3.5790    1.3990 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2383   -1.3702    0.2928 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.8199    3.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086   -1.4904    1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039   -2.4165    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056    0.6180    0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686   -0.5922   -0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7512    1.1774    2.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5105   -1.9693    0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3189   -2.0640   -1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -4.4025   -2.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1638   -6.1272   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9533   -5.2535    3.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760   -5.3171    3.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0363   -3.1652    2.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5360   -2.9410    3.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1798   -3.6722    1.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1222👍, 0💬