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

*Links on SpectraBase are not permalinks.

2-(4-Amino-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenoxy-phenyl)-acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-(4-Amino-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenoxy-phenyl)-acetamide
SpectraBase Compound ID KzuhbwBEQTJ
InChI InChI=1S/C17H17N5O2S/c1-12-20-21-17(22(12)18)25-11-16(23)19-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-10H,11,18H2,1H3,(H,19,23)
InChIKey VATGKISWSSGLHI-UHFFFAOYSA-N
Mol Weight 355.42 g/mol
Molecular Formula C17H17N5O2S
Exact Mass 355.110296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID LhSdaytA9eR
Name 2-(4-Amino-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenoxy-phenyl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.110295979 u
Formula C17H17N5O2S
InChI InChI=1S/C17H17N5O2S/c1-12-20-21-17(22(12)18)25-11-16(23)19-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-10H,11,18H2,1H3,(H,19,23)
InChIKey VATGKISWSSGLHI-UHFFFAOYSA-N
Molecular Weight 355.416 g/mol
SMILES C1=CC=C(C=C1)OC=1C=CC(NC(CSC=2N(C(C)=NN2)N)=O)=CC1