For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[(3-bromobenzyl)thio]-5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazole
SpectraBase Compound ID BahjiETcQqr
InChI InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3
InChIKey MSSQLCMFEHISRQ-UHFFFAOYSA-N
Mol Weight 440.36 g/mol
Molecular Formula C21H18BrN3OS
Exact Mass 439.035396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I5bCrmEx1Cs
Name 3-[(3-bromobenzyl)thio]-5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrN3OS
InChI InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3
InChIKey MSSQLCMFEHISRQ-UHFFFAOYSA-N
Molecular Weight 440.359 g/mol
SMILES c1ccc2c(-[n]3c(nnc3COC)SCc3cc(Br)ccc3)cccc2c1
SPLASH splash10-000e-2951200000-b872cdeaf269fd83d21d
Synonyms 3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazole 3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazole 3-[(3-bromophenyl)methylthio]-5-(methoxymethyl)-4-(1-naphthalenyl)-1,2,4-triazole
Wiley ID 1460760