
 92751-39-8

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.3983    0.4144    0.9442 C   0  0  0  0  0
    2.8093    0.3110    0.5043 C   0  0  0  0  0
    3.4677    1.3958    0.0916 N   0  0  0  0  0
    5.0015    0.8890   -0.3170 S   0  0  0  0  0
    4.6931   -0.7589    0.0839 C   0  0  0  0  0
    3.4530   -0.9191    0.5119 N   0  0  0  0  0
    5.6868   -1.8281   -0.0509 C   0  0  0  0  0
    7.0170   -1.6189   -0.4096 C   0  0  0  0  0
    7.9476   -2.5995   -0.5369 N   0  0  0  0  0
    7.5393   -3.8619   -0.2934 C   0  0  0  0  0
    6.2460   -4.1883    0.0715 C   0  0  0  0  0
    5.3151   -3.1576    0.1933 C   0  0  0  0  0
    1.0688   -0.5161    1.4174 H   0  0  0  0  0
    0.7458    0.6119    0.0885 H   0  0  0  0  0
    1.2762    1.2240    1.6706 H   0  0  0  0  0
    7.4142   -0.6287   -0.6145 H   0  0  0  0  0
    8.3028   -4.6272   -0.4018 H   0  0  0  0  0
    5.9654   -5.2191    0.2577 H   0  0  0  0  0
    4.2922   -3.3969    0.4803 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 16  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 17  1  0  0  0
 11 12  2  0  0  0
 11 18  1  0  0  0
 12 19  1  0  0  0
M  END

>  <Chemical Name>
92751-39-8

>  <PubChem CID>
14763500

>  <Formula>
C8H7N3S

>  <Molecular Weight>
177.225000

>  <IUPAC Name>
3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NSC(=N1)C2=CN=CC=C2

>  <Isomeric SMILES>
CC1=NSC(=N1)C2=CN=CC=C2

>  <InChI Std. ID>
InChI=1S/C8H7N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h2-5H,1H3

>  <InChI Key>
PLRFDKKPAQZTFT-UHFFFAOYSA-N

