-ISIS-  08251613512D

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  5  3  1  0  0  0  0
 11 12  2  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <ID> (STK506299)
STK506299

>  <Rotatable_Bonds> (STK506299)
5

>  <logP> (STK506299)
5.48

>  <PSA> (STK506299)
74.47

>  <H_Donors> (STK506299)
0

>  <H_Acceptors> (STK506299)
2

>  <Number_of_rings> (STK506299)
3

>  <NAME> (STK506299)
4-ethyl-3-(4-methoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole

>  <Mol_Weight> (STK506299)
355.46

>  <Mol_Formula> (STK506299)
C19H21N3O2S

>  <Smiles> (STK506299)
COc1ccc(cc1)c1nnc(n1CC)SCCOc1ccccc1

$$$$