Molecule FYI-1008592

Home > Molecule

A

Molecule Summary:

ID: FYI-1008592
Names:
InChIKey: USYJPURHWWPPBO-UHFFFAOYSA-N
SMILES: CCCc1cc(=O)[nH]c(SCC)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008592 Edit

Molecule Structure InChIKey: USYJPURHWWPPBO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1cc(=O)[nH]c(SCC)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008592
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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
 13  9  2  0  0  0  0
 13  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008592-3D
FYIcenter.com

 27 27  0     0  0  0  0  0  0999 V2000
    2.4141    1.0347    0.9322 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -3.1717   -0.5691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007    0.5684    0.6886 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2730   -1.2002    0.1344 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549    0.4812    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1157    1.1846   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211   -0.1725    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4832    1.8233   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854   -1.4386   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419    0.0131    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923   -2.0130   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332    1.0276   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986    1.8630   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3992   -0.2733    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6158    1.1931    1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3946    1.9602   -0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667    0.4713   -1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3232    1.5235    1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314   -2.0704   -0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621    2.5688    0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2376    1.0704   -0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7961    2.3243   -1.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4885    0.0011   -0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    1.4283   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832    2.9075   -0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155    1.4706    0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    1.8520   -1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 172👍, 0💬