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4H-1,2,4-triazole, 3-(3-fluorophenyl)-5-[[(3-nitrophenyl)methyl]thio]-4-phenyl-
SpectraBase Compound ID 5tpNwtfOG1S
InChI InChI=1S/C21H15FN4O2S/c22-17-8-5-7-16(13-17)20-23-24-21(25(20)18-9-2-1-3-10-18)29-14-15-6-4-11-19(12-15)26(27)28/h1-13H,14H2
InChIKey WSYLDKGMLDVWMJ-UHFFFAOYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C21H15FN4O2S
Exact Mass 406.089975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rnUMEovquL
Name 3-(3-fluorophenyl)-5-[(3-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole
Alternate Name(s) 3-(3-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-(3-fluorophenyl)-5-[(3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole
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Formula C21H15FN4O2S
InChI InChI=1S/C21H15FN4O2S/c22-17-8-5-7-16(13-17)20-23-24-21(25(20)18-9-2-1-3-10-18)29-14-15-6-4-11-19(12-15)26(27)28/h1-13H,14H2
InChIKey WSYLDKGMLDVWMJ-UHFFFAOYSA-N
Molecular Weight 406.435 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2cc(N(=O)=O)ccc2)-c2cc(F)ccc2)cc1
SPLASH splash10-004u-9640100000-f54d0bde6bc22cb23def
Wiley ID 1459940