null
  CDK     0225161911
null
 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.8267    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198    3.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7648    2.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    1.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1238    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788    2.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619    0.9561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2549    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -1.3349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -1.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.8109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13  9  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 12  1  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 20  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:125527

> <NAME>
6-[2-(2-chlorophenoxy)ethyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

> <STAR>
2

> <FORMULA>
C18H15ClN4O2S

> <MASS>
386.857

> <MONOISOTOPIC_MASS>
386.06042

> <CHARGE>
0

> <SMILES>
C1=CC=C(C=C1)OCC2=NN=C3N2N=C(S3)CCOC4=CC=CC=C4Cl

> <INCHI>
InChI=1S/C18H15ClN4O2S/c19-14-8-4-5-9-15(14)24-11-10-17-22-23-16(20-21-18(23)26-17)12-25-13-6-2-1-3-7-13/h1-9H,10-12H2

> <INCHIKEY>
RQWAXSNKHUTUOM-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-37037

$$$$