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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID ETd2iC139bW
InChI InChI=1S/C15H12N4O2S/c22-15-18-17-14(10-2-1-5-16-9-10)19(15)11-3-4-12-13(8-11)21-7-6-20-12/h1-5,8-9H,6-7H2,(H,18,22)
InChIKey XEZPAIUNLOFZKM-UHFFFAOYSA-N
Mol Weight 312.35 g/mol
Molecular Formula C15H12N4O2S
Exact Mass 312.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RBuReAFfb5
Name 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
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Formula C15H12N4O2S
InChI InChI=1S/C15H12N4O2S/c22-15-18-17-14(10-2-1-5-16-9-10)19(15)11-3-4-12-13(8-11)21-7-6-20-12/h1-5,8-9H,6-7H2,(H,18,22)
InChIKey XEZPAIUNLOFZKM-UHFFFAOYSA-N
Molecular Weight 312.347 g/mol
SMILES Sc1[n](c(nn1)-c1cnccc1)-c1ccc2OCCOc2c1
SPLASH splash10-03di-9725000000-0cfdc14b1832a7dfcaca
Source of Spectrum IY-2-4750-7
Synonyms Hydrosulfide, [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]- 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Wiley ID 1655490