Chemical Compounds of Interest

(Q4871)

Statements

SMILES (without stereochemistry)
CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)F)C(F)(F)F)C2=NCCS2
0 references
chemical formula
C₁₆H₁₇F₅N₂O₂S
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3
1 reference
based on heuristic
inferred from SMILES
AOP-Wiki Stressor ID
170
0 references
 
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