
 SCHEMBL8030897

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.9399   -6.9243   -1.4121 C   0  0  0  0  0
    4.0552   -6.2478   -0.0891 C   0  0  0  0  0
    3.5881   -5.0355    0.2977 C   0  0  0  0  0
    4.0423   -4.6421    1.9903 S   0  0  0  0  0
    4.8527   -6.1634    2.0937 C   0  0  0  0  0
    5.5540   -6.7793    3.0008 N   0  0  0  0  0
    5.8941   -7.9231    2.3235 C   0  0  0  0  0
    5.4437   -8.0277    1.0634 N   0  0  0  0  0
    4.7640   -6.8693    0.9304 N   0  0  0  0  0
    2.7975   -4.0419   -0.5099 C   0  0  0  0  0
    1.8208   -3.3603    0.2994 O   0  0  0  0  0
    0.5921   -3.9321    0.3431 C   0  0  0  0  0
    0.2926   -4.9402   -0.2806 O   0  0  0  0  0
   -0.1938   -3.2158    1.2041 N   0  0  0  0  0
   -1.5302   -3.4699    1.5542 C   0  0  0  0  0
   -2.3562   -4.3420    0.8391 C   0  0  0  0  0
   -3.6715   -4.5730    1.2526 C   0  0  0  0  0
   -4.1700   -3.9399    2.3874 C   0  0  0  0  0
   -3.3607   -3.0569    3.0981 C   0  0  0  0  0
   -2.0507   -2.8117    2.6746 C   0  0  0  0  0
    3.5082   -6.2736   -2.1766 H   0  0  0  0  0
    3.3127   -7.8179   -1.3332 H   0  0  0  0  0
    4.9283   -7.2318   -1.7730 H   0  0  0  0  0
    6.4981   -8.7073    2.7650 H   0  0  0  0  0
    2.3290   -4.4958   -1.3907 H   0  0  0  0  0
    3.4806   -3.2733   -0.8878 H   0  0  0  0  0
    0.3004   -2.4868    1.7022 H   0  0  0  0  0
   -2.0088   -4.8477   -0.0562 H   0  0  0  0  0
   -4.3015   -5.2533    0.6853 H   0  0  0  0  0
   -5.1875   -4.1356    2.7164 H   0  0  0  0  0
   -3.7462   -2.5659    3.9878 H   0  0  0  0  0
   -1.4377   -2.1251    3.2526 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 19  1  0  0  0
 18 30  1  0  0  0
 19 20  2  0  0  0
 19 31  1  0  0  0
 20 32  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL8030897

>  <PubChem CID>
44136508

>  <Formula>
C13H12N4O2S

>  <Molecular Weight>
288.325000

>  <IUPAC Name>
(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl N-phenylcarbamate

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(SC2=NC=NN12)COC(=O)NC3=CC=CC=C3

>  <Isomeric SMILES>
CC1=C(SC2=NC=NN12)COC(=O)NC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C13H12N4O2S/c1-9-11(20-12-14-8-15-17(9)12)7-19-13(18)16-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,16,18)

>  <InChI Key>
AQHDPZJWXRAEAB-UHFFFAOYSA-N

