
 1-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate

 35 37  0  0  0  0  0  0  0  0999 V2000
    6.4639   -0.2876   -1.1703 C   0  0  0  0  0
    6.5035   -0.6971    0.2613 C   0  0  0  0  0
    5.5202   -1.2305    1.0264 C   0  0  0  0  0
    6.0591   -1.5123    2.7202 S   0  0  0  0  0
    7.6098   -0.8865    2.2994 C   0  0  0  0  0
    8.7282   -0.6803    2.9325 N   0  0  0  0  0
    9.4947   -0.1503    1.9254 C   0  0  0  0  0
    8.9041   -0.0285    0.7259 N   0  0  0  0  0
    7.6722   -0.5112    0.9884 N   0  0  0  0  0
    4.0882   -1.5171    0.6400 C   0  0  0  0  0
    3.7037   -2.9830    0.8326 C   0  0  0  0  0
    3.2375   -0.7171    1.4836 O   0  0  0  0  0
    2.8709    0.4902    0.9786 C   0  0  0  0  0
    3.0644    0.8355   -0.1765 O   0  0  0  0  0
    2.3390    1.2294    1.9963 N   0  0  0  0  0
    1.8335    2.5360    1.9350 C   0  0  0  0  0
    1.5054    3.1773    0.7376 C   0  0  0  0  0
    0.9945    4.4775    0.7505 C   0  0  0  0  0
    0.8197    5.1518    1.9568 C   0  0  0  0  0
    1.1442    4.5201    3.1551 C   0  0  0  0  0
    1.6379    3.2132    3.1441 C   0  0  0  0  0
    5.5412   -0.5933   -1.6696 H   0  0  0  0  0
    7.2939   -0.7411   -1.7227 H   0  0  0  0  0
    6.5465    0.8007   -1.2573 H   0  0  0  0  0
   10.5225    0.1581    2.0732 H   0  0  0  0  0
    3.9112   -1.2904   -0.4163 H   0  0  0  0  0
    3.7470   -3.2849    1.8845 H   0  0  0  0  0
    4.3501   -3.6449    0.2476 H   0  0  0  0  0
    2.6676   -3.1417    0.5131 H   0  0  0  0  0
    2.4346    0.7967    2.9058 H   0  0  0  0  0
    1.6161    2.6805   -0.2218 H   0  0  0  0  0
    0.7321    4.9632   -0.1874 H   0  0  0  0  0
    0.4306    6.1664    1.9625 H   0  0  0  0  0
    1.0159    5.0455    4.0981 H   0  0  0  0  0
    1.8898    2.7434    4.0925 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  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 25  1  0  0  0
  8  9  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
M  END

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

>  <PubChem CID>
3655510

>  <Formula>
C14H14N4O2S

>  <Molecular Weight>
302.352000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)

>  <InChI Key>
AOUUMBPBMVOBSP-UHFFFAOYSA-N

