Molecule FYI-1001113

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Molecule Summary:

ID: FYI-1001113
SMILES: N=1C(=NOC1C=2C=CC(=CC2)CCC)C=3SC=CC3

Received at FYIcenter.com on: 2022-01-10

Molecule ID: FYI-1001113 Edit

Molecule Structure SMILES String: N=1C(=NOC1C=2C=CC(=CC2)CCC)C=3SC=CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001113
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.5878    1.3944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    2.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8968    2.3455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2058    1.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968    0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968   -0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308   -0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968   -2.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628   -0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968   -3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628   -3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628   -4.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    3.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    3.1545    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    4.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    4.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938   -0.3834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938   -2.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   -2.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   -0.3834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862   -3.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -3.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734   -3.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4749   -3.1107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428   -4.6934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628   -5.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828   -4.6934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    4.2972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    5.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    4.2972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001113-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.0353   -0.3369   -1.1899 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    0.9898   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462    1.2320    0.3906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647   -0.0231    0.8196 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518   -0.9044   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094   -2.2782   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.6483    1.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330   -3.9458    1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -4.9115    0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868   -4.5552   -0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7855   -3.2528   -0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7101   -6.3003    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695   -7.0642    1.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8782   -7.3178    1.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    2.0693   -1.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062    3.7385   -1.3657 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915    4.1561   -2.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4007    3.0433   -3.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0499    1.8336   -2.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015   -1.9236    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0870   -4.1897    2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0294   -5.2843   -1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530   -2.9981   -1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8008   -6.2083    0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -6.8954   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458   -6.5312    2.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877   -8.0307    1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3208   -6.3814    1.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968   -7.9108    2.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4765   -7.8693    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    5.1955   -3.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8499    3.0941   -4.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1965    0.8410   -3.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 479👍, 0💬