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

*Links on SpectraBase are not permalinks.

acetamide, 2-[[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)-

View entire compound with spectra: 2 NMR

acetamide, 2-[[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)-
SpectraBase Compound ID 7zXGdZGISOK
InChI InChI=1S/C27H22N4OS/c1-19-9-7-14-22(17-19)31-26(21-11-3-2-4-12-21)29-30-27(31)33-18-25(32)28-24-16-8-13-20-10-5-6-15-23(20)24/h2-17H,18H2,1H3,(H,28,32)
InChIKey QJOKSVXUIWXLNP-UHFFFAOYSA-N
Mol Weight 450.56 g/mol
Molecular Formula C27H22N4OS
Exact Mass 450.151433 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 BDR85kU4uuv
Name Acetamide, 2-[[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.151432517 u
Formula C27H22N4OS
InChI InChI=1S/C27H22N4OS/c1-19-9-7-14-22(17-19)31-26(21-11-3-2-4-12-21)29-30-27(31)33-18-25(32)28-24-16-8-13-20-10-5-6-15-23(20)24/h2-17H,18H2,1H3,(H,28,32)
InChIKey QJOKSVXUIWXLNP-UHFFFAOYSA-N
Molecular Weight 450.560 g/mol
SMILES N(C=1C2=C(C=CC=C2)C=CC1)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C1=CC(C)=CC=C1)=O