Molecule FYI-1001159

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A

Molecule Summary:

ID: FYI-1001159
SMILES: CCCCn1c(=S)[nH]nc1c1cccc(c1)O

Received at FYIcenter.com on: 2022-02-11

Molecule ID: FYI-1001159 Edit

Molecule Structure SMILES String: CCCCn1c(=S)[nH]nc1c1cccc(c1)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001159
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.0655    4.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    6.5741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8187    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4817    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8132    2.2347    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001159-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    6.4585    0.0483    1.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2795    0.0858    1.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027   -0.2504   -0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5154   -0.1276   -1.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8383   -0.5701   -2.7404 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2594   -3.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5236    1.9027   -3.7589 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6107   -0.5567   -4.8110 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985   -1.8607   -4.4927 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9426   -1.8369   -3.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362   -3.0849   -2.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859   -3.1959   -1.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169   -4.3603   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2454   -5.4579   -1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -5.3854   -2.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4356   -4.2108   -2.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0079   -6.4618   -2.3616 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1251    0.2635    2.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2089    0.7956    1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9352   -0.9369    1.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8222    1.0818    1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5197   -0.6290    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1116   -1.2672   -0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5048    0.4235   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    0.9133   -1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6706   -0.6925   -0.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0203   -0.2705   -5.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8629   -2.3988   -1.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -4.4130   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030   -6.3584   -0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2190   -4.1769   -3.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712   -7.2344   -1.8782 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
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 584👍, 0💬