null
  CDK     0225161909
null
 21 23  0  0  0  0  0  0  0  0999 V2000
    2.1434    8.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964    4.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    3.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315    2.7666    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615    4.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231    4.4736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362    3.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    4.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0883    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7557    4.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008    4.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758    4.9611    0.0000 S   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  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14  9  1  0  0  0  0 
 15 14  1  4  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:121897

> <NAME>
3-(phenoxymethyl)-4-(thiophen-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione

> <STAR>
2

> <FORMULA>
C14H12N4OS2

> <MASS>
316.404

> <MONOISOTOPIC_MASS>
316.04525

> <CHARGE>
0

> <SMILES>
C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CS3

> <INCHI>
InChI=1S/C14H12N4OS2/c20-14-17-16-13(10-19-11-5-2-1-3-6-11)18(14)15-9-12-7-4-8-21-12/h1-9H,10H2,(H,17,20)

> <INCHIKEY>
RCHYOAJESHBWED-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-33340

$$$$