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2-Furancarboxylic acid, 5-[[[5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester
SpectraBase Compound ID BEIfCOhH9TK
InChI InChI=1S/C14H12N4O3S/c1-20-13(19)11-3-2-10(21-11)8-22-14-16-12(17-18-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3,(H,16,17,18)
InChIKey IHNYJMUUFRBDMU-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C14H12N4O3S
Exact Mass 316.063011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPFkeoLLdL6
Name 2-Furancarboxylic acid, 5-[[[5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester
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Formula C14H12N4O3S
InChI InChI=1S/C14H12N4O3S/c1-20-13(19)11-3-2-10(21-11)8-22-14-16-12(17-18-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3,(H,16,17,18)
InChIKey IHNYJMUUFRBDMU-UHFFFAOYSA-N
Molecular Weight 316.335 g/mol
SMILES [nH]1c(nnc1-c1ccncc1)SCc1oc(C(=O)OC)cc1
SPLASH splash10-000i-6901000000-c007fcc07ff829ee9f37
Source of Spectrum IY-2-4721-4
Synonyms Methyl 5-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate 5-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester Methyl 5-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Methyl 5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
Wiley ID 1655197