Molecule FYI-1000964

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A

Molecule Summary:

ID: FYI-1000964
SMILES: O=C1CSC(=S)N1CCCN(C)C

Received at FYIcenter.com on: 2021-08-20

Molecule ID: FYI-1000964 Edit

Molecule Structure SMILES String: O=C1CSC(=S)N1CCCN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000964
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.0633   -2.6244    0.2889 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941   -1.5546    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -1.4202   -0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2126    0.3861   -0.6100 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515    0.7595    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    2.3226    0.4898 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315   -0.3973    0.3851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934   -0.3852    1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3692   -0.3243   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529   -0.3116    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7858   -0.2531   -0.4662 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1215   -0.4773    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7299    1.0231   -1.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211   -1.8998    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -1.8369   -1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -1.2917    1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3815    0.4869    1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    0.5822   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2811   -1.1963   -0.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8842   -1.2181    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8410    0.5604    1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3328    0.2902    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8672   -0.4287   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1557   -1.4597    0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7523    1.1315   -1.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5051    1.0399   -1.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8908    1.8449   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000964-3D
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.5767   -0.8098   -2.3699 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5435   -0.2791   -1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460    1.2108   -1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294    1.5114    0.6861 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4726   -0.1893    1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092   -0.7063    2.6727 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190   -0.9498   -0.0578 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709   -2.4104   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6229   -3.1284   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4719   -4.6564   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478   -5.1856   -1.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4460   -4.9054   -2.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -6.6317   -1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2098    1.6955   -1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5811    1.5706   -1.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -2.6849   -0.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -2.7248    0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -2.8449    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -2.7962   -0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281   -4.9398    0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4678   -5.1132    0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -3.8312   -2.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9108   -5.3530   -3.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -5.2938   -2.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -6.8581   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992   -7.1771   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -7.0225   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

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2021-11-13, 234👍, 0💬