
 AC1LSLDP

 35 37  0  0  0  0  0  0  0  0999 V2000
    5.1625   -0.8056   -1.6728 C   0  0  0  0  0
    4.4118   -0.3522   -0.4693 C   0  0  0  0  0
    3.5951   -1.0641    0.3465 C   0  0  0  0  0
    2.9272   -0.0630    1.6779 S   0  0  0  0  0
    3.8126    1.2878    1.0654 C   0  0  0  0  0
    3.9825    2.5283    1.4243 N   0  0  0  0  0
    4.8434    2.9602    0.4466 C   0  0  0  0  0
    5.2083    2.0522   -0.4722 N   0  0  0  0  0
    4.5259    0.9661   -0.0532 N   0  0  0  0  0
    3.2232   -2.5229    0.2257 C   0  0  0  0  0
    3.8395   -3.3576    1.3477 C   0  0  0  0  0
    1.7975   -2.7216    0.2828 O   0  0  0  0  0
    1.1380   -2.5221   -0.8890 C   0  0  0  0  0
    1.6514   -2.0379   -1.8852 O   0  0  0  0  0
   -0.1268   -3.0251   -0.7510 N   0  0  0  0  0
   -1.1277   -3.1302   -1.7323 C   0  0  0  0  0
   -1.0525   -2.5170   -2.9858 C   0  0  0  0  0
   -2.0820   -2.6817   -3.9168 C   0  0  0  0  0
   -3.1907   -3.4650   -3.6070 C   0  0  0  0  0
   -3.2776   -4.0775   -2.3592 C   0  0  0  0  0
   -2.2545   -3.9038   -1.4236 C   0  0  0  0  0
    5.1672   -1.8932   -1.7789 H   0  0  0  0  0
    6.2095   -0.4880   -1.6183 H   0  0  0  0  0
    4.7206   -0.3797   -2.5795 H   0  0  0  0  0
    5.2217    3.9745    0.4049 H   0  0  0  0  0
    3.5940   -2.9469   -0.7151 H   0  0  0  0  0
    3.4769   -3.0454    2.3326 H   0  0  0  0  0
    4.9329   -3.2933    1.3388 H   0  0  0  0  0
    3.5532   -4.4081    1.2339 H   0  0  0  0  0
   -0.2985   -3.4557    0.1454 H   0  0  0  0  0
   -0.2087   -1.8925   -3.2641 H   0  0  0  0  0
   -2.0134   -2.1953   -4.8866 H   0  0  0  0  0
   -3.9860   -3.5967   -4.3364 H   0  0  0  0  0
   -4.1384   -4.6923   -2.1151 H   0  0  0  0  0
   -2.3423   -4.3975   -0.4600 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>
AC1LSLDP

>  <PubChem CID>
1489964

>  <Formula>
C14H14N4O2S

>  <Molecular Weight>
302.352000

>  <IUPAC Name>
[(1S)-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@H](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)/t10-/m0/s1

>  <InChI Key>
AOUUMBPBMVOBSP-JTQLQIEISA-N

