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5-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2,1,3-benzoxadiazole

View entire compound with spectra: 1 MS (GC)

5-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2,1,3-benzoxadiazole
SpectraBase Compound ID LSvZJVI5RzB
InChI InChI=1S/C16H13N5O2S/c1-2-7-21-15(14-4-3-8-22-14)17-18-16(21)24-10-11-5-6-12-13(9-11)20-23-19-12/h2-6,8-9H,1,7,10H2
InChIKey IPHSFVJGSTXKNL-UHFFFAOYSA-N
Mol Weight 339.37 g/mol
Molecular Formula C16H13N5O2S
Exact Mass 339.078996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHhxHF4SWRD
Name 5-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2,1,3-benzoxadiazole
Alternate Name(s) 5-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2,1,3-benzoxadiazole 5-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzofurazan 5-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2,1,3-benzoxadiazole
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Formula C16H13N5O2S
InChI InChI=1S/C16H13N5O2S/c1-2-7-21-15(14-4-3-8-22-14)17-18-16(21)24-10-11-5-6-12-13(9-11)20-23-19-12/h2-6,8-9H,1,7,10H2
InChIKey IPHSFVJGSTXKNL-UHFFFAOYSA-N
Molecular Weight 339.373 g/mol
SMILES C=CC[n]1c(nnc1SCc1cc2nonc2cc1)-c1occc1
SPLASH splash10-000f-8933000000-38597d3073b60848d22f
Wiley ID 1511931