Molecule FYI-1001158

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A

Molecule Summary:

ID: FYI-1001158
SMILES: CCCCn1c(=S)[nH]nc1c1ccccc1O

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

Molecule ID: FYI-1001158 Edit

Molecule Structure SMILES String: CCCCn1c(=S)[nH]nc1c1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001158
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    3.2430    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
    4.4413    2.7388    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
    5.1906    0.4326    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
    2.8188    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872    0.5041    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 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001158-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.6387   -2.0659    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7295   -1.0120    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2052   -0.5926    1.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3713    0.3890    1.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9461    0.7228    2.6167 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9866    1.9848    3.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921    3.4480    2.5699 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718    1.8390    4.4179 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9015    0.5390    4.6427 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200   -0.0916    3.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6849   -1.5573    3.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1814   -2.0808    2.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2539   -3.4619    1.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8969   -4.3307    3.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4803   -3.8248    4.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3607   -2.4426    4.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741   -1.9837    5.6249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.3366   -0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878   -1.6963    0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -2.9756    0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530   -0.1410   -0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676   -1.4197   -0.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789   -1.4894    1.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -0.1274    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255    1.2999    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738   -0.0044    0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7284    2.5640    5.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5138   -1.4248    1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -3.8545    1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9637   -5.4062    2.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2200   -4.5201    5.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8891   -2.6989    6.2857 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 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-05, 1433👍, 0💬