Molecule FYI-1003814

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A

Molecule Summary:

ID: FYI-1003814
Names:
InChIKey: UCZYNOOZTJXABA-UHFFFAOYSA-N
SMILES: Cc1ns(=O)c2ccccc12

Received at FYIcenter.com on: 2023-07-27

Molecule ID: FYI-1003814 Edit

Molecule Structure InChIKey: UCZYNOOZTJXABA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ns(=O)c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1003814
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    4.8205    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.6248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.5844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3985    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    2.6630    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003814-3D
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.0561    0.0645   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5427    0.1573    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    1.2992    0.2548 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995    1.1253    0.4625 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2929    1.8120   -0.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857   -0.6201    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7257   -1.5306    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4077   -2.8837   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0672   -3.3021   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289   -2.3696   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747   -1.0361    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182    1.0641   -0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -0.4703    0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126   -0.4674   -0.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7603   -1.2044    0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2054   -3.6208   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8395   -4.3609   -0.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944   -2.6895   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  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 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2596👍, 0💬