Molecule FYI-1004968

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A

Molecule Summary:

ID: FYI-1004968
Names:
InChIKey: YXTKQMVSLHRWMF-UHFFFAOYSA-N
SMILES: Cc1c(N)c(S)c(F)cc1Cl

Received at FYIcenter.com on: 2023-10-04

Molecule ID: FYI-1004968 Edit

Molecule Structure InChIKey: YXTKQMVSLHRWMF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c(N)c(S)c(F)cc1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004968
FYIcenter.com

 11 11  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
    2.4251    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
    0.0000    2.8000    0.0000 C   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
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004968-3D
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.0304   -0.0675    0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356   -0.1091    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2592   -1.3239   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017   -2.5747    0.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2875   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -2.8004   -0.0974 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431   -0.0589   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6836   -0.0043   -0.0481 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430    1.1376   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2518    1.1106    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    2.6415    0.0749 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5616   -1.0500    0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273    0.4131   -0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057    0.4900    0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522   -2.5866   -0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458   -3.3236   -0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597   -3.4926    0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1911    2.0738   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

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2023-10-13, 2338👍, 0💬