null
  CDK     0224162331
null
 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8561   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277    0.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756    1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8881    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361    2.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4176    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    1.2156    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    2.4486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    1.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    2.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899    2.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899    3.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4189    3.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4189    2.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1334    3.6861    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    1.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813    0.7665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082    2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213    2.6911    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7562    2.7522    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8602    1.5260    0.0000 F   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  7  1  0  0  0  0 
  7  3  1  0  0  0  0 
  6  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  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  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 13  1  0  0  0  0 
 16 19  1  0  0  0  0 
  4 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21  2  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:107690

> <NAME>
N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester

> <STAR>
2

> <FORMULA>
C15H11F4N3O2S

> <MASS>
373.327

> <MONOISOTOPIC_MASS>
373.05081

> <CHARGE>
0

> <SMILES>
CN1C2=C(C=C(S2)NC(=O)OCC3=CC=C(C=C3)F)C(=N1)C(F)(F)F

> <INCHI>
InChI=1S/C15H11F4N3O2S/c1-22-13-10(12(21-22)15(17,18)19)6-11(25-13)20-14(23)24-7-8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,20,23)

> <INCHIKEY>
GZHBVHDXEFDKJL-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-19069

$$$$