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acetamide, 2-[[5-(1-methylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 8fdeB0UOU32
InChI InChI=1S/C21H18F3N5O2S/c1-12(2)29-16-6-4-3-5-15(16)18-19(29)26-20(28-27-18)32-11-17(30)25-13-7-9-14(10-8-13)31-21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,30)
InChIKey LNJSDXHOMMETGG-UHFFFAOYSA-N
Mol Weight 461.46 g/mol
Molecular Formula C21H18F3N5O2S
Exact Mass 461.113331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAWt9jSsfnV
Name 2-[(5-isopropyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Formula C21H18F3N5O2S
InChI InChI=1S/C21H18F3N5O2S/c1-12(2)29-16-6-4-3-5-15(16)18-19(29)26-20(28-27-18)32-11-17(30)25-13-7-9-14(10-8-13)31-21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,30)
InChIKey LNJSDXHOMMETGG-UHFFFAOYSA-N
Molecular Weight 461.463 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2C(C)C)nn1)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-000i-3690000000-e3acfd8aec3af5011ef9
Synonyms 2-[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide 2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
Wiley ID 1446561