Molecule FYI-1012120

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A

Molecule Summary:

ID: FYI-1012120
Names:
InChIKey: JLTIYWMVKXVVIY-GQCTYLIASA-N
SMILES: C=CCOS(=S)/C=C/C

Received at FYIcenter.com on: 2024-08-15

Molecule ID: FYI-1012120 Edit

Molecule Structure InChIKey: JLTIYWMVKXVVIY-GQCTYLIASA-N

Molecule Structure SMILES String: C=CCOS(=S)/C=C/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012120
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   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
    4.8497    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012120-3D
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.3116    0.0110    1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6817    0.6281    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2740    1.0965   -1.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6986    0.9733   -1.1788 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558    1.1555   -2.6452 S   0  0  3  0  0  0  0  0  0  0  0  0
    5.4642    3.1335   -2.7420 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0220    0.8230   -2.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556    0.5063   -2.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4051    0.3132   -2.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7732   -0.2739    2.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3728   -0.2240    1.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    0.8322    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0014    2.1508   -1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8174    0.5171   -1.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2870    0.9253   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6883    0.4207   -4.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6287    0.4497   -1.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9990    1.0380   -3.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7236   -0.6915   -2.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1072👍, 0💬