null
  CDK     0225161909
null
 19 20  0  0  0  0  0  0  0  0999 V2000
    0.7145    5.9411    0.0000 C   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
    0.7145    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    2.9812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    1.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    1.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    2.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884    0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733    0.2804    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1558    1.4328    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8209    0.4630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    3.2361    0.0000 N   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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  7  1  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:122007

> <NAME>
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide

> <STAR>
2

> <FORMULA>
C10H8Cl3N5O

> <MASS>
320.563

> <MONOISOTOPIC_MASS>
318.97944

> <CHARGE>
0

> <SMILES>
C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C(Cl)(Cl)Cl)N

> <INCHI>
InChI=1S/C10H8Cl3N5O/c11-10(12,13)7(19)15-9-16-8(14)18(17-9)6-4-2-1-3-5-6/h1-5H,(H3,14,15,16,17,19)

> <INCHIKEY>
VSFIFIOEYMXOMJ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-33450

$$$$