
 SMR000092447

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.0471    0.2783   -0.0685 C   0  0  0  0  0
    2.5288    0.3818    0.0035 C   0  0  0  0  0
    3.5221   -0.5859    0.1023 C   0  0  0  0  0
    4.7801    0.1106    0.0962 C   0  0  0  0  0
    6.1320   -0.2935    0.1365 C   0  0  0  0  0
    7.1461    0.6718    0.0890 C   0  0  0  0  0
    6.8338    2.0258    0.0092 C   0  0  0  0  0
    5.5049    2.4540   -0.0248 C   0  0  0  0  0
    4.5051    1.4743    0.0167 C   0  0  0  0  0
    3.1402    1.6106   -0.0121 N   0  0  0  0  0
    3.3423   -2.0781    0.1446 C   0  0  0  0  0
    2.6134   -2.5581    1.3473 C   0  0  0  0  0
    3.0703   -3.0695    2.4729 N   0  0  0  0  0
    1.9612   -3.3889    3.2287 N   0  0  0  0  0
    0.9038   -3.0412    2.5218 C   0  0  0  0  0
    1.2446   -2.5385    1.2975 O   0  0  0  0  0
   -0.7439   -3.1856    3.0431 S   0  0  0  0  0
   -0.5229   -3.5228    4.8090 C   0  0  0  0  0
    0.0470   -2.3141    5.5244 C   0  0  0  0  0
   -0.6150   -1.3253    5.8227 O   0  0  0  0  0
    1.3758   -2.3820    5.8366 N   0  0  0  0  0
    0.7367   -0.6789   -0.4970 H   0  0  0  0  0
    0.6291    1.0690   -0.7001 H   0  0  0  0  0
    0.6122    0.3713    0.9318 H   0  0  0  0  0
    6.3969   -1.3446    0.1981 H   0  0  0  0  0
    8.1869    0.3587    0.1140 H   0  0  0  0  0
    7.6341    2.7617   -0.0279 H   0  0  0  0  0
    5.2626    3.5098   -0.0875 H   0  0  0  0  0
    2.6593    2.4977   -0.0648 H   0  0  0  0  0
    4.3169   -2.5784    0.1094 H   0  0  0  0  0
    2.8060   -2.3960   -0.7580 H   0  0  0  0  0
    0.1086   -4.4040    4.9607 H   0  0  0  0  0
   -1.4987   -3.7451    5.2534 H   0  0  0  0  0
    1.9932   -2.9392    5.2488 H   0  0  0  0  0
    1.7805   -1.5312    6.2072 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 10  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
SMR000092447

>  <PubChem CID>
823260

>  <Formula>
C14H14N4O2S

>  <Molecular Weight>
302.352000

>  <IUPAC Name>
2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2N1)CC3=NN=C(O3)SCC(=O)N

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2N1)CC3=NN=C(O3)SCC(=O)N

>  <InChI Std. ID>
InChI=1S/C14H14N4O2S/c1-8-10(9-4-2-3-5-11(9)16-8)6-13-17-18-14(20-13)21-7-12(15)19/h2-5,16H,6-7H2,1H3,(H2,15,19)

>  <InChI Key>
AZSOMGYAVHMLCV-UHFFFAOYSA-N

