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ethanone, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thienyl)-
SpectraBase Compound ID 2KpxFUgWmZG
InChI InChI=1S/C21H16FN3OS2/c1-14-10-11-19(28-14)18(26)13-27-21-24-23-20(15-6-5-7-16(22)12-15)25(21)17-8-3-2-4-9-17/h2-12H,13H2,1H3
InChIKey NJMDXYHTVAHJPV-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C21H16FN3OS2
Exact Mass 409.071883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MHRcL0LVSv
Name 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methyl-2-thienyl)ethanone
Alternate Name(s) 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thienyl)ethanone 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thiophenyl)ethanone
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Formula C21H16FN3OS2
InChI InChI=1S/C21H16FN3OS2/c1-14-10-11-19(28-14)18(26)13-27-21-24-23-20(15-6-5-7-16(22)12-15)25(21)17-8-3-2-4-9-17/h2-12H,13H2,1H3
InChIKey NJMDXYHTVAHJPV-UHFFFAOYSA-N
Molecular Weight 409.497 g/mol
SMILES c1ccc(-[n]2c(nnc2SCC(c2sc(C)cc2)=O)-c2cc(F)ccc2)cc1
SPLASH splash10-004i-2911000000-7142c1439b85ca6d6c6f
Wiley ID 1461247