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4H-1,2,4-triazole, 3-[[(6-chloro-1,3-benzodioxol-5-yl)methyl]thio]-5-(3-fluorophenyl)-4-phenyl-
SpectraBase Compound ID GKirE3WqqNz
InChI InChI=1S/C22H15ClFN3O2S/c23-18-11-20-19(28-13-29-20)10-15(18)12-30-22-26-25-21(14-5-4-6-16(24)9-14)27(22)17-7-2-1-3-8-17/h1-11H,12-13H2
InChIKey PINLUNBGGIAWDA-UHFFFAOYSA-N
Mol Weight 439.89 g/mol
Molecular Formula C22H15ClFN3O2S
Exact Mass 439.055754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Amk1y58jsLR
Name 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole
Alternate Name(s) 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole 3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
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Formula C22H15ClFN3O2S
InChI InChI=1S/C22H15ClFN3O2S/c23-18-11-20-19(28-13-29-20)10-15(18)12-30-22-26-25-21(14-5-4-6-16(24)9-14)27(22)17-7-2-1-3-8-17/h1-11H,12-13H2
InChIKey PINLUNBGGIAWDA-UHFFFAOYSA-N
Molecular Weight 439.892 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2c(cc3c(c2)OCO3)Cl)-c2cc(F)ccc2)cc1
SPLASH splash10-0v00-5900400000-fc878dfa7db01f3a2471
Wiley ID 1464197