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

*Links on SpectraBase are not permalinks.

2-[(4-allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

View entire compound with spectra: 2 NMR

2-[(4-allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SpectraBase Compound ID DuezJ2c0Bwu
InChI InChI=1S/C16H18N4OS/c1-2-10-20-15(12-8-9-12)18-19-16(20)22-11-14(21)17-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,17,21)
InChIKey QHHUCLMJFVJXNG-UHFFFAOYSA-N
Mol Weight 314.41 g/mol
Molecular Formula C16H18N4OS
Exact Mass 314.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 6JBfKHVkEhF
Name 2-[(4-Allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.120132389 u
Formula C16H18N4OS
InChI InChI=1S/C16H18N4OS/c1-2-10-20-15(12-8-9-12)18-19-16(20)22-11-14(21)17-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,17,21)
InChIKey QHHUCLMJFVJXNG-UHFFFAOYSA-N
Molecular Weight 314.407 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1CC1)CC=C)=O)C=1C=CC=CC1