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Acetonitrile, 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID BGUZYRn8vrO
InChI InChI=1S/C12H9N7OS/c13-6-7-21-12-16-15-11(9-10(14)18-20-17-9)19(12)8-4-2-1-3-5-8/h1-5H,7H2,(H2,14,18)
InChIKey AJWOJBOKJYRSAH-UHFFFAOYSA-N
Mol Weight 299.31 g/mol
Molecular Formula C12H9N7OS
Exact Mass 299.058929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2NC6R39ng8
Name Acetonitrile, 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N7OS
InChI InChI=1S/C12H9N7OS/c13-6-7-21-12-16-15-11(9-10(14)18-20-17-9)19(12)8-4-2-1-3-5-8/h1-5H,7H2,(H2,14,18)
InChIKey AJWOJBOKJYRSAH-UHFFFAOYSA-N
Molecular Weight 299.312 g/mol
SMILES Nc1nonc1-c1[n](-c2ccccc2)c(SCC#N)nn1
SPLASH splash10-0ufu-9580000000-c08f07108f389179153d
Source of Spectrum IY-2-4746-8
Synonyms 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile 2-[[5-(4-azanyl-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile
Wiley ID 1655451