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acetamide, 2-[[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 1C6WkKysOjv
InChI InChI=1S/C26H20F3N5O2S/c27-26(28,29)36-19-12-10-18(11-13-19)30-22(35)16-37-25-31-24-23(32-33-25)20-8-4-5-9-21(20)34(24)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,30,35)
InChIKey NRXDOUYJJSBLJI-UHFFFAOYSA-N
Mol Weight 523.53 g/mol
Molecular Formula C26H20F3N5O2S
Exact Mass 523.128981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uKwoIG4ApN
Name 2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Formula C26H20F3N5O2S
InChI InChI=1S/C26H20F3N5O2S/c27-26(28,29)36-19-12-10-18(11-13-19)30-22(35)16-37-25-31-24-23(32-33-25)20-8-4-5-9-21(20)34(24)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,30,35)
InChIKey NRXDOUYJJSBLJI-UHFFFAOYSA-N
Molecular Weight 523.534 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2CCc2ccccc2)nn1)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0002-7935000000-6ca663886c66aa343f4c
Synonyms 2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Wiley ID 1448246