Molecule FYI-1000992

Home > Molecule

A

Molecule Summary:

ID: FYI-1000992
SMILES: C1CCCCCNCCCCCC1CSSCCC2CCCCCCCC2

Received at FYIcenter.com on: 2021-09-10

Molecule ID: FYI-1000992 Edit

Molecule Structure SMILES String: C1CCCCCNCCCCCC1CSSCCC2CCCCCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000992
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
   10.6731    3.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9531    1.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8386    0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5220    0.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7053    0.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4053    2.0733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4617    3.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8615    4.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7423    5.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3604    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    5.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    4.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    5.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378    4.3496    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    5.0496    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2129    4.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    5.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7880    4.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7155    5.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3155    5.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431    4.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0155    1.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    1.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    2.9709    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000992-3D
FYIcenter.com

 74 75  0  0  1  0  0  0  0  0999 V2000
    2.0985   -0.5852    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   -1.8708   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8858   -2.8279    0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317   -2.7608    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788   -1.3488   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796   -1.2187    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177    0.1229   -0.0974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5547    1.1964    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    1.9101   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    2.2968    0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9361    2.5775   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2709    1.9753    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901    0.5982   -0.4686 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4888    0.4936   -1.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    1.7602   -2.9703 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3395    1.3544   -2.5203 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5871   -0.3266   -3.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2704   -0.3935   -4.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4660   -1.7671   -5.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8420   -2.4657   -5.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1209   -1.7292   -4.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4411   -0.3854   -5.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.4195   -7.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5744    0.5155   -7.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    0.1897   -7.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6846   -1.2861   -7.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8504   -1.7960   -6.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -0.8607    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.2402    0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -2.3747   -0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2297   -1.6612   -1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674   -2.6559    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092   -3.8580    0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1457   -3.2427    0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -3.3634   -0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569   -1.0337   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680   -0.6727    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -1.4882    1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177   -1.9349   -0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2079    0.1176    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1395    0.8177    1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153    1.9310    0.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9608    2.8098   -0.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255    1.2765   -1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0049    1.5133    1.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680    3.1981    1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614    3.6668   -0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7096    2.2773   -1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    1.9207    1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    2.6940   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7705    0.5192   -0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282    0.5361   -2.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8404   -0.4731   -2.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9845   -1.0426   -2.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6275   -0.5671   -3.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8305    0.3818   -5.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159   -0.1313   -4.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995   -2.4312   -4.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0266   -2.9799   -6.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -3.2980   -4.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9570   -2.4106   -5.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -1.6124   -3.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4325   -0.0982   -5.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7902    0.4120   -5.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755   -1.4409   -7.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5438   -0.0831   -7.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9408    0.5723   -8.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    1.5352   -7.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7135    0.6572   -8.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5235    0.7216   -7.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5429   -1.9365   -8.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0553   -1.4206   -8.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935   -2.8420   -7.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8885   -1.2653   -6.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 25  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 27  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-02, 2113👍, 0💬