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5-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,1,3-benzoxadiazole
SpectraBase Compound ID D4B5fT5ZOo5
InChI InChI=1S/C17H14N6OS/c1-2-8-23-16(13-4-3-7-18-10-13)19-20-17(23)25-11-12-5-6-14-15(9-12)22-24-21-14/h2-7,9-10H,1,8,11H2
InChIKey DUMBUACIZMOJCV-UHFFFAOYSA-N
Mol Weight 350.4 g/mol
Molecular Formula C17H14N6OS
Exact Mass 350.09498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ACjsHImgsx
Name 5-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,1,3-benzoxadiazole
Alternate Name(s) 5-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2,1,3-benzoxadiazole 5-[[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzofurazan 5-[[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-2,1,3-benzoxadiazole Benzo[1,2,5]oxadiazole, 5-(4-allyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-
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Formula C17H14N6OS
InChI InChI=1S/C17H14N6OS/c1-2-8-23-16(13-4-3-7-18-10-13)19-20-17(23)25-11-12-5-6-14-15(9-12)22-24-21-14/h2-7,9-10H,1,8,11H2
InChIKey DUMBUACIZMOJCV-UHFFFAOYSA-N
Molecular Weight 350.400 g/mol
SMILES c1cncc(-c2[n](c(nn2)SCc2cc3nonc3cc2)CC=C)c1
SPLASH splash10-0f96-9721000000-2e8106c2cb7f5105c83b
Wiley ID 1441710