Molecule FYI-1000968

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A

Molecule Summary:

ID: FYI-1000968
SMILES: O=C1CSC(=S)N1CCCN1CCCCC1

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

Molecule ID: FYI-1000968 Edit

Molecule Structure SMILES String: O=C1CSC(=S)N1CCCN1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000968
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    1.7043   -2.3713    1.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169   -1.4917    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733   -1.7455   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238   -0.0802   -0.9206 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    0.7171   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    2.3899   -0.1807 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9454   -0.2226    0.5011 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.1604    1.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4729    0.0928    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.4929    1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8961    0.4279    0.2037 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1452    0.5728    0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3268    0.6465   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3666   -0.6290   -0.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360   -0.7816   -1.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8918   -0.8139   -0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3603   -2.1545    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.4111   -1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995   -0.5230    2.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563    1.1770    1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299    0.7763   -0.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867   -0.9238   -0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722   -0.1906    1.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6154    1.5095    1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2705   -0.2850    1.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1054    1.4858    1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2551    0.7384    0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2091    1.5122   -0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5233   -1.4913   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1807   -0.5620   -1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -1.7101   -2.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980    0.0616   -2.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9418   -0.9081   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0230   -1.6653    0.0878 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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000968-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    4.2616   -0.9315    0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391   -0.3515   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1986    1.1469   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6869    1.5312   -1.1423 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3381   -0.1497   -1.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0272   -0.5910   -2.3542 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -0.9658   -0.9892 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337   -2.4298   -1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5435   -3.1062    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513   -4.6393   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952   -5.2427   -0.0999 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6136   -4.9776    1.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0245   -5.5637    1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9933   -7.0596    0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904   -7.3456   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056   -6.6943   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586    1.6082   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212    1.4879    0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3764   -2.7666   -1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -2.7154   -2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006   -2.7669   -0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260   -2.7858    0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0421   -4.9025   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9446   -5.0560    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0576   -5.3828    2.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7247   -3.9010    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208   -5.3696    2.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6151   -5.0594    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5378   -7.5790    1.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0142   -7.4434    0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870   -8.4287   -0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7376   -6.9684   -1.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035   -7.1848    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -6.8777   -1.3078 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 17  1  0  0  0  0
  3 18  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 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  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 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-11-30, 2677👍, 0💬