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

*Links on SpectraBase are not permalinks.

2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

View entire compound with spectra: 2 NMR

2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
SpectraBase Compound ID GroLYTZe4ub
InChI InChI=1S/C23H20N4OS/c1-17-9-8-10-18(15-17)22-25-26-23(27(22)20-13-6-3-7-14-20)29-16-21(28)24-19-11-4-2-5-12-19/h2-15H,16H2,1H3,(H,24,28)
InChIKey MFIDPLPIBAUBTB-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C23H20N4OS
Exact Mass 400.135782 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 6sw1ysc3hmD
Name 2-{[5-(3-Methylphenyl)-4-phenyl-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 400.135782453 u
Formula C23H20N4OS
InChI InChI=1S/C23H20N4OS/c1-17-9-8-10-18(15-17)22-25-26-23(27(22)20-13-6-3-7-14-20)29-16-21(28)24-19-11-4-2-5-12-19/h2-15H,16H2,1H3,(H,24,28)
InChIKey MFIDPLPIBAUBTB-UHFFFAOYSA-N
Molecular Weight 400.500 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC(C)=CC=C1)C1=CC=CC=C1)=O)C1=CC=CC=C1