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

*Links on SpectraBase are not permalinks.
3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-2-(1-piperidinylmethyl)-
SpectraBase Compound ID 2HcpqpgJBVS
InChI InChI=1S/C23H28N4OS/c1-18-11-12-21(15-19(18)2)28-16-22-24-26(17-25-13-7-4-8-14-25)23(29)27(22)20-9-5-3-6-10-20/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3
InChIKey WVGQHEHVGFSAOU-UHFFFAOYSA-N
Mol Weight 408.56 g/mol
Molecular Formula C23H28N4OS
Exact Mass 408.198383 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 HymzOhP8Bze
Name 3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-2-(1-piperidinylmethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N4OS
InChI InChI=1S/C23H28N4OS/c1-18-11-12-21(15-19(18)2)28-16-22-24-26(17-25-13-7-4-8-14-25)23(29)27(22)20-9-5-3-6-10-20/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3
InChIKey WVGQHEHVGFSAOU-UHFFFAOYSA-N
Molecular Weight 408.564 g/mol
SMILES c1(cc(OCC2=NN(C(=S)N2c2ccccc2)CN2CCCCC2)ccc1C)C
SPLASH splash10-0002-9000000000-abf4f6e645102c2ea5b5
Source of Spectrum IY-1-4542-1
Synonyms 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(1-piperidylmethyl)-1,2,4-triazole-3-thione 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione
Wiley ID 1653404