
 OpenBabel04291915373D

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.9585    0.0821    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    0.0821    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3444    3.1277    1.4917 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    3.1277    1.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    6.2768    2.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335    6.2768    2.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    4.1774    1.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335    4.1774    1.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    5.2271    2.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869    5.2271    2.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7804    6.3113    3.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899    1.0973    0.5234 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3444    1.0973    0.5234 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938    2.1125    1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7658    2.1125    1.0075 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3691    3.6528    1.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8511    3.6528    1.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5005    4.6679    2.2264 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7992    4.6679    2.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5212    3.5392    1.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8354    1.4398    0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    0.3901    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8498    2.4895    1.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5212    1.4398    0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8498    0.3901    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5243   -0.6644   -0.3169 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8308   -1.7486   -0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4486    5.6831    2.7106 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4784    2.6721    1.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -0.8284   -0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    0.9135   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    0.1613    1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9336    6.9950    3.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175    7.0835    3.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7925    4.9841    2.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175    3.3707    1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8324    6.1348    2.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    7.1938    2.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    6.4416    4.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    3.7319    2.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    4.4841    1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8177    1.5944    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909   -0.4166   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8178    2.4895    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5532    1.4398    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5261   -2.4827   -1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2156   -1.4237   -1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2156   -2.1759   -0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 12  2  0  0  0  0
  2  3  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  9  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  2  0  0  0  0
 19 20  1  0  0  0  0
 20 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 25  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <SKU>
A11454

>  <Product Name>
TC-E 5001

>  <CAS>
865565-29-3

>  <M.Wt>
409.46156

>  <Formula>
C20H19N5O3S

>  <Synonyms>
TC-E5001, TC-E-5001

>  <URL>
https://www.adooq.com/tc-e-5001.html

$$$$
