Molecule FYI-1006362

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Molecule Summary:

ID: FYI-1006362
Names:
InChIKey: NSJNRJYQQPRCLF-UHFFFAOYSA-N
SMILES: CNC(=O)CS

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006362 Edit

Molecule Structure InChIKey: NSJNRJYQQPRCLF-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)CS

Download SDF Download SVG Structure in 2D SDF:

FYI-1006362
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 S   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006362-3D
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
    2.3298    0.6464    0.5979 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762   -1.4894    0.2944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    0.6645   -0.2362 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963   -0.0024   -0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553   -0.3740   -0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    0.5550    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    0.7463   -1.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615   -0.8947   -1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6780    1.5626   -0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193   -0.4914    0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885    1.0584   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3769    1.0562    1.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7195    0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 236👍, 0💬