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3-(benzylthio)-5-methyl-4-pyrrol-1-yl-1,2,4-triazole
SpectraBase Compound ID 1lZSCvLP7QI
InChI InChI=1S/C14H14N4S/c1-12-15-16-14(18(12)17-9-5-6-10-17)19-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey TUGBKVWWDBLNAE-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C14H14N4S
Exact Mass 270.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 973cH0LbSNP
Name 3-(benzylthio)-5-methyl-4-pyrrol-1-yl-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4S
InChI InChI=1S/C14H14N4S/c1-12-15-16-14(18(12)17-9-5-6-10-17)19-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey TUGBKVWWDBLNAE-UHFFFAOYSA-N
Molecular Weight 270.354 g/mol
SMILES c1(nnc([n]1-[n]1cccc1)C)SCc1ccccc1
SPLASH splash10-0006-9210000000-291abaf8970235c5ca82
Source of Spectrum K-2001-428-33
Synonyms 3-Benzylsulfanyl-5-methyl-4-pyrrol-1-yl-1,2,4-triazole 3-Methyl-5-(phenylmethylsulfanyl)-4-pyrrol-1-yl-1,2,4-triazole 3-Methyl-5-(phenylmethylthio)-4-(1-pyrrolyl)-1,2,4-triazole
Wiley ID 1578532