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Acetamide, 2-[[4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 789xMB5v7R9
InChI InChI=1S/C17H16F3N7O4S/c1-10-21-7-15(27(29)30)26(10)8-13-23-24-16(25(13)2)32-9-14(28)22-11-3-5-12(6-4-11)31-17(18,19)20/h3-7H,8-9H2,1-2H3,(H,22,28)
InChIKey KPGNOFUPSIWUGP-UHFFFAOYSA-N
Mol Weight 471.42 g/mol
Molecular Formula C17H16F3N7O4S
Exact Mass 471.093658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Z6mIJt3kOk
Name Acetamide, 2-[[4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
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Formula C17H16F3N7O4S
InChI InChI=1S/C17H16F3N7O4S/c1-10-21-7-15(27(29)30)26(10)8-13-23-24-16(25(13)2)32-9-14(28)22-11-3-5-12(6-4-11)31-17(18,19)20/h3-7H,8-9H2,1-2H3,(H,22,28)
InChIKey KPGNOFUPSIWUGP-UHFFFAOYSA-N
Molecular Weight 471.415 g/mol
SMILES N(C(CSc1nnc([n]1C)C[n]1c(N(=O)=O)cnc1C)=O)c1ccc(cc1)OC(F)(F)F
SPLASH splash10-002e-7960000000-caec29dfdb170a0bcd6b
Source of Spectrum IY-1-4577-9
Synonyms 2-[[4-methyl-5-[(2-methyl-5-nitro-1-imidazolyl)methyl]-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-methyl-5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Wiley ID 1653762