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benzamide, N-[4-[5-[[2-(dimethylamino)-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]phenyl]-2-fluoro-
SpectraBase Compound ID 6uyIneT5I4K
InChI InChI=1S/C20H20FN5O2S/c1-25(2)17(27)12-29-20-24-23-18(26(20)3)13-8-10-14(11-9-13)22-19(28)15-6-4-5-7-16(15)21/h4-11H,12H2,1-3H3,(H,22,28)
InChIKey PTFDOPYPHOQVNA-UHFFFAOYSA-N
Mol Weight 413.47 g/mol
Molecular Formula C20H20FN5O2S
Exact Mass 413.132174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy1oeHcpJt3
Name N-[4-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
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Formula C20H20FN5O2S
InChI InChI=1S/C20H20FN5O2S/c1-25(2)17(27)12-29-20-24-23-18(26(20)3)13-8-10-14(11-9-13)22-19(28)15-6-4-5-7-16(15)21/h4-11H,12H2,1-3H3,(H,22,28)
InChIKey PTFDOPYPHOQVNA-UHFFFAOYSA-N
Molecular Weight 413.471 g/mol
SMILES N(C(c1c(F)cccc1)=O)c1ccc(-c2[n](c(nn2)SCC(N(C)C)=O)C)cc1
SPLASH splash10-00dl-9400000000-ba86d99b2be7dfb8895e
Synonyms N-[4-[5-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluoranyl-benzamide N-[4-[5-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluoro-benzamide N-[4-[5-[[2-(dimethylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluoro-benzamide N-[4-[5-[[2-(dimethylamino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
Wiley ID 1453477