Molecule FYI-1004756

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A

Molecule Summary:

ID: FYI-1004756
Names:
InChIKey: PYFSCYSDPQMEGZ-UHFFFAOYSA-N
SMILES: Nc1cc(C(F)(F)F)cc2sssssc12.Cl

Received at FYIcenter.com on: 2023-09-23

Molecule ID: FYI-1004756 Edit

Molecule Structure InChIKey: PYFSCYSDPQMEGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(C(F)(F)F)cc2sssssc12.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004756
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.8575    2.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    5.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    5.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092    6.4918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529    7.7819    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5006    8.1610    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6372    7.3437    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    5.9455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0308    1.7944    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1940    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    0.8368    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5508    4.2364    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004756-3D
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.2704    0.2723   -0.5844 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    0.2219   -0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3715   -0.9481   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7535   -1.0417   -0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5147   -2.3058   -0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6816   -3.2944   -1.2689 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891   -2.0360   -1.7124 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173   -2.7845    0.3793 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4371    0.0622    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526    1.2356    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6881    2.6175    1.0855 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7960    3.5777   -0.8192 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2687    4.9789   -0.3242 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329    3.7535   -1.1381 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4494    2.7939    0.7332 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3559    1.3166    0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678   -0.8377    1.8937 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -0.5339   -1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7085    1.1064   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259   -1.7836   -1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5075    0.0051    0.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565   -1.1540    1.6919 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
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-05, 1920👍, 0💬