null
  CDK     0225161909
null
 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.8762   -3.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311   -2.7943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9157   -2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9157   -1.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311   -1.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5832   -3.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4969   -3.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1644   -4.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9181   -3.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0043   -3.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3369   -2.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5855   -4.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4993   -5.2996    0.0000 C   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 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  2  1  0  0  0  0 
  6  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 
  9 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  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 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 12  1  0  0  0  0 
  3 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 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 21  1  0  0  0  0 
 24 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:121185

> <NAME>
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide

> <STAR>
2

> <FORMULA>
C19H17N5O2S2

> <MASS>
411.503

> <MONOISOTOPIC_MASS>
411.08237

> <CHARGE>
0

> <SMILES>
CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

> <INCHI>
InChI=1S/C19H17N5O2S2/c1-24-17(12-7-9-13(26-2)10-8-12)22-23-19(24)27-11-16(25)21-18-20-14-5-3-4-6-15(14)28-18/h3-10H,11H2,1-2H3,(H,20,21,25)

> <INCHIKEY>
PYSKJATUHYOBIU-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-32628

$$$$