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Acetonitrile, 2-[[4-ethyl-5-(2-methyl-3-furanyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID IgcUwBBRNBp
InChI InChI=1S/C11H12N4OS/c1-3-15-10(9-4-6-16-8(9)2)13-14-11(15)17-7-5-12/h4,6H,3,7H2,1-2H3
InChIKey QAVDGVURMQAGDJ-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C11H12N4OS
Exact Mass 248.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rIoSV1IOAD
Name Acetonitrile, 2-[[4-ethyl-5-(2-methyl-3-furanyl)-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4OS
InChI InChI=1S/C11H12N4OS/c1-3-15-10(9-4-6-16-8(9)2)13-14-11(15)17-7-5-12/h4,6H,3,7H2,1-2H3
InChIKey QAVDGVURMQAGDJ-UHFFFAOYSA-N
Molecular Weight 248.304 g/mol
SMILES C(CSc1nnc([n]1CC)-c1c(C)occ1)#N
SPLASH splash10-0a4i-6960000000-c96fc16b2d34b5d82bee
Source of Spectrum IY-1-4406-6
Synonyms 2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetonitrile 2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile 2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile 2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile
Wiley ID 1652049