Molecule FYI-1000963

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A

Molecule Summary:

ID: FYI-1000963
SMILES: CN(C)CCN1C(=O)CSC1=S

Received at FYIcenter.com on: 2021-08-19

Molecule ID: FYI-1000963 Edit

Molecule Structure SMILES String: CN(C)CCN1C(=O)CSC1=S

Download SDF Download SVG Structure in 2D SDF:

FYI-1000963
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000963-3D
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.0614   -0.1228   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263   -0.0531   -0.0521 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583   -1.3122    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0523    0.2541   -1.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816    0.4483   -1.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0412    0.7735   -2.8135 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3187   -0.2690   -3.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891   -1.4585   -3.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8056    0.2087   -5.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6793    2.0023   -4.9887 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1449    2.0495   -3.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295    3.4930   -2.5454 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525   -0.3101    0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -0.9148   -0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384    0.8302   -0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996   -1.5511    1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1326   -1.2346    0.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831   -2.1525   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5860    1.1863   -1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.5225   -2.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -0.4714   -1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8924    1.2337   -0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1744   -0.2022   -5.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8457   -0.0957   -5.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$

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2021-11-13, 363👍, 0💬