Acetamide, N-(2-(2,4-bis((ethenylamino)thioxomethyl)-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoro-
Basic information
- CAS
134793-47-8- Standard SMILES
C=CNC(=S)n1nc(-c2ccccc2NC(=O)C(F)(F)F)c(=O)n(C(=S)NC=C)c1=S- InChIKey
FFLNCWNLBCUZJK-UHFFFAOYSA-N- Molecular formula
- C17H13F3N6O2S3
- Average molar mass
- 486.5 g/mol
- Monoisotopic mass
- 486.02142169
Names & identifiers
- Preferred name
- Acetamide, N-(2-(2,4-bis((ethenylamino)thioxomethyl)-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoro-
- IUPAC
- N-[2-[2,4-bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide
Names & synonyms
134793-47-8NSC623092K6FZY58H95Acetamide, N-(2-(2,4-bis((ethenylamino)thioxomethyl)-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoro-NSC 623092UNII-K6FZY58H953-Thioxo-2,4-Di(N-vinylaminothioxomethyl)-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)-oneNSC-623092N-(2-(2,4-Bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoroacetamideN-[2-[2,4-bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamideAcetamide, N-[2-[2,4-bis[(ethenylamino)thioxomethyl]-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoro-CHEMBL1999543
Show more names
DTXSID20158951N-{2-[2,4-bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]phenyl}-2,2,2-trifluoroacetamideNCI60_0068822,2,2-trifluoro-N-[2-[5-oxo-3-thioxo-2,4-bis(vinylcarbamothioyl)-1,2,4-triazin-6-yl]phenyl]acetamideN-[2-[2,4-Bis[(ethenylamino)thioxomethyl]-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 861
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