null
  CDK     0225161900
null
 28 31  0  0  0  0  0  0  0  0999 V2000
   -7.7656   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9406   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9406   -1.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9406    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1156   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7031    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8781    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4656   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8781   -0.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7031   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1156   -1.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3260   -1.5731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586   -0.4170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
 10 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14  8  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 19  1  0  0  0  0 
 22 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:115119

> <NAME>
3-tert-butyl-7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

> <STAR>
2

> <FORMULA>
C18H18N4O4S2

> <MASS>
418.493

> <MONOISOTOPIC_MASS>
418.07695

> <CHARGE>
0

> <SMILES>
CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC4=C(C=C3)OCCO4

> <INCHI>
InChI=1S/C18H18N4O4S2/c1-18(2,3)14-15(24)22-16(20-19-14)28-17(21-22)27-9-11(23)10-4-5-12-13(8-10)26-7-6-25-12/h4-5,8H,6-7,9H2,1-3H3

> <INCHIKEY>
GBODLDMNXWLBRB-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-26580

$$$$