Molecule FYI-1008717

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A

Molecule Summary:

ID: FYI-1008717
Names:
InChIKey: QFVSGYWXUZTOSW-UHFFFAOYSA-N
SMILES: CC(C)Oc1ccccc1C(N)=S

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

Molecule ID: FYI-1008717 Edit

Molecule Structure InChIKey: QFVSGYWXUZTOSW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Oc1ccccc1C(N)=S

Download SDF Download SVG Structure in 2D SDF:

FYI-1008717
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    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
    3.6373    4.2000    0.0000 O   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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008717-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
   -1.3044   -2.8475    1.0145 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.0056   -0.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4987   -2.2189   -1.4370 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3297    0.2683    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550    0.5315   -0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341   -1.0482    0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    1.0428   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562   -0.2936   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0781    1.9148   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006    0.2645    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224    2.4730    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4336    1.6479    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -1.7402   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727    0.8716    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0269   -1.5746    1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -1.7134    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   -0.8891    1.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8263    0.4764   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626    1.2604    0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    1.9891   -0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    2.5753   -0.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -0.3579    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269    3.5503    0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030    2.0830    0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -1.6029   -2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3925   -3.2148   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1665👍, 0💬