Molecule FYI-1001160

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Molecule Summary:

ID: FYI-1001160
SMILES: CCCCn1c(n[nH]c1=S)c1ccc(cc1)O

Received at FYIcenter.com on: 2022-02-11

Molecule ID: FYI-1001160 Edit

Molecule Structure SMILES String: CCCCn1c(n[nH]c1=S)c1ccc(cc1)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001160
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.0423    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9768    1.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6768    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    5.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    6.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    7.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    8.3762    0.0000 O   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  1  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
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001160-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.1193   -0.3532   -1.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4904   -0.2045   -0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492   -1.5434   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031   -1.4148    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697   -2.5817    1.1532 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7705   -2.5902    2.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0906   -3.7971    2.5982 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4276   -4.6303    1.7685 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7353   -3.9155    0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891   -4.6966   -0.4461 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3912   -1.3996    2.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793   -0.0651    2.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8546    0.9757    3.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6208    0.6873    4.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -0.6278    4.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954   -1.6614    4.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2117    1.6698    5.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993    0.5896   -1.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -0.6484   -0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366   -1.1187   -2.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518    0.5656   -0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    0.1356   -1.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -2.2499   -1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080   -1.9080    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1336   -0.6619    1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0621   -1.0495   -0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -5.6355    1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7722    0.2385    1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7017    2.0014    2.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434   -0.8559    5.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3627   -2.6848    4.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9934    2.5353    4.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-06, 1821👍, 1💬