Molecule FYI-1006393

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A

Molecule Summary:

ID: FYI-1006393
Names:
InChIKey: NVGVNJDFTHQFQR-UHFFFAOYSA-N
SMILES: Sc1c(S)c(S)c(S)c(S)c1S

Received at FYIcenter.com on: 2023-12-14

Molecule ID: FYI-1006393 Edit

Molecule Structure InChIKey: NVGVNJDFTHQFQR-UHFFFAOYSA-N

Molecule Structure SMILES String: Sc1c(S)c(S)c(S)c(S)c1S

Download SDF Download SVG Structure in 2D SDF:

FYI-1006393
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 S   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  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006393-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    3.0763   -0.9346    0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474    2.1967   -0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287   -3.1311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292    3.1311    0.0011 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3476   -2.1967    0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0761    0.9344   -0.0009 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347   -0.4054   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186    0.9532   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3162   -1.3585    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162    1.3587   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0184   -0.9532    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5993    0.2492    0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    3.2416    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159   -2.9922   -0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0154    2.9923   -0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5843   -3.2412    0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5988   -0.2483    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1492👍, 0💬