Molecule FYI-1008670

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A

Molecule Summary:

ID: FYI-1008670
Names:
InChIKey: TWZOYAWHWDRMEZ-UHFFFAOYSA-N
SMILES: NCCc1nccs1

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

Molecule ID: FYI-1008670 Edit

Molecule Structure InChIKey: TWZOYAWHWDRMEZ-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc1nccs1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008670
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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  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  7  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008670-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    1.2815   -1.4418   -0.0879 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5443    0.0038   -0.1239 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393    1.0660    0.2276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071   -0.4294    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1485    0.2871   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354   -0.1352    0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600   -0.3143   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837    0.9637   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044   -1.5088    0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4178   -0.1023    1.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9442   -0.0278   -1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907    1.3709   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7410    0.2874    0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037   -1.0026   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5649   -0.6287   -0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    1.8636   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 149👍, 0💬