Molecule FYI-1014048

Home > Molecule

A

Molecule Summary:

ID: FYI-1014048
Names:
InChIKey: WZLYFKYTUTVOGK-UHFFFAOYSA-N
SMILES: Clc2cccc(Sc1cccc(Cl)c1Cl)c2Cl

Received at FYIcenter.com on: 2025-02-23

Molecule ID: FYI-1014048 Edit

Molecule Structure InChIKey: WZLYFKYTUTVOGK-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc2cccc(Sc1cccc(Cl)c1Cl)c2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1014048
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 16  1  0  0  0  0
  3 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014048-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
   -2.8023    1.6664    1.6280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8054   -1.6549    1.6396 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0377    0.8030   -0.4794 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0363   -0.8066   -0.4786 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.0070    1.7186 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.3720    0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284    0.3759    0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5296    0.3347    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303   -0.3309    0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -1.4377   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    1.4355   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213   -0.0244   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201    0.0216   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1090   -1.7967   -1.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061    1.7880   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111   -1.0900   -1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3081    1.0810   -1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.0150   -0.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    2.0133   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464   -2.6279   -1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420    2.6144   -1.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0726   -1.3846   -1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    1.3705   -1.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1102👍, 0💬