
 OpenBabel04291915363D

 51 51  0  0  0  0  0  0  0  0999 V2000
    0.9655    0.0032    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4855    0.0032    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589    0.0492    1.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.1289   -3.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085   -0.1289   -3.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -0.0911   -2.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228   -0.0911   -2.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9943   -0.1289   -3.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941   -0.1666   -5.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2960   -0.1681   -5.1247 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2088   -0.0413   -1.2197 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9510   -0.0518   -1.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890   -0.0920   -2.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8087   -0.1006   -3.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467   -0.1408   -4.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9889   -0.1513   -4.6072 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8749   -0.1015   -3.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178   -0.1015   -3.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8892   -0.0638   -1.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2322   -0.0638   -1.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9036   -0.0261   -0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2034   -0.0638   -1.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8069   -0.0638   -1.9110 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392   -0.1752   -5.3444 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7224   -0.0659   -1.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4703   -0.0376   -1.1028 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753   -0.1267   -3.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274   -0.1551   -4.7241 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8585   -0.0174   -0.4825 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -0.0314   -0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089    0.8937    0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -0.8526    0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8422    0.8590   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8422   -0.8872   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355    0.8565    1.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4495   -0.0999   -3.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8245   -0.1578   -4.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639   -0.0621   -1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5307   -0.1867   -5.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7883   -0.1957   -5.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115   -0.1681   -5.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7338   -0.1305   -3.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3732   -0.0348   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482   -0.0928   -2.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7284   -0.0059   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3147   -0.0914   -2.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3147   -0.0361   -1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3713   -0.1694   -5.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6674   -0.2053   -6.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5303    0.0127    0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8264   -0.0233   -0.6623 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  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  2  0  0  0  0
  6 38  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 12 13  2  0  0  0  0
 13 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 14 15  2  0  0  0  0
 15 24  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
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  3  0  0  0  0
 27 28  3  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
>  <SKU>
A10957

>  <Product Name>
U0126-EtOH

>  <CAS>
1173097-76-1

>  <M.Wt>
426.55828

>  <Formula>
C20H22N6OS2

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/u0126-etoh.html

$$$$
