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5-[2-[[1-(2-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID Ej77BbAKKib
InChI InChI=1S/C18H14FN9O2S/c19-12-8-4-5-9-13(12)27-18(22-25-26-27)31-10-14(29)21-17-15(16(20)30)23-28(24-17)11-6-2-1-3-7-11/h1-9H,10H2,(H2,20,30)(H,21,24,29)
InChIKey CRZNHURKLUWPAD-UHFFFAOYSA-N
Mol Weight 439.43 g/mol
Molecular Formula C18H14FN9O2S
Exact Mass 439.09752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7biQs7bcqQG
Name 5-[2-[[1-(2-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide
Alternate Name(s) 5-[[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-2-phenyl-triazole-4-carboxamide 5-[[2-[[1-(2-fluorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-2-phenyl-4-triazolecarboxamide 5-[[2-[[1-(2-fluorophenyl)tetrazol-5-yl]thio]acetyl]amino]-2-phenyl-triazole-4-carboxamide
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Formula C18H14FN9O2S
InChI InChI=1S/C18H14FN9O2S/c19-12-8-4-5-9-13(12)27-18(22-25-26-27)31-10-14(29)21-17-15(16(20)30)23-28(24-17)11-6-2-1-3-7-11/h1-9H,10H2,(H2,20,30)(H,21,24,29)
InChIKey CRZNHURKLUWPAD-UHFFFAOYSA-N
Molecular Weight 439.429 g/mol
SMILES N(c1n[n](nc1C(=O)N)-c1ccccc1)C(CSc1[n](nnn1)-c1c(F)cccc1)=O
SPLASH splash10-000i-9700000000-a416313ec7e648c3b13d
Wiley ID 1462584