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

*Links on SpectraBase are not permalinks.

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID 4igQR6GoRmZ
InChI InChI=1S/C27H28N4OS/c1-18(2)23-7-5-6-8-24(23)28-25(32)17-33-27-30-29-26(21-13-9-19(3)10-14-21)31(27)22-15-11-20(4)12-16-22/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKey QUPBFJMFBWTQTQ-UHFFFAOYSA-N
Mol Weight 456.61 g/mol
Molecular Formula C27H28N4OS
Exact Mass 456.198383 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 eSidrHbt1D
Name 2-{[4,5-bis(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.198382711 u
Formula C27H28N4OS
InChI InChI=1S/C27H28N4OS/c1-18(2)23-7-5-6-8-24(23)28-25(32)17-33-27-30-29-26(21-13-9-19(3)10-14-21)31(27)22-15-11-20(4)12-16-22/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKey QUPBFJMFBWTQTQ-UHFFFAOYSA-N
Molecular Weight 456.608 g/mol
SMILES N(C=1C(C(C)C)=CC=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C)C=C1)C1=CC=C(C)C=C1)=O