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

*Links on SpectraBase are not permalinks.

2-({[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole

View entire compound with spectra: 2 NMR

2-({[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
SpectraBase Compound ID 1sgR3tBrY61
InChI InChI=1S/C20H19N5OS/c1-3-12-25-19(14-8-10-15(26-2)11-9-14)23-24-20(25)27-13-18-21-16-6-4-5-7-17(16)22-18/h3-11H,1,12-13H2,2H3,(H,21,22)
InChIKey UTACMQFEMOHFHS-UHFFFAOYSA-N
Mol Weight 377.47 g/mol
Molecular Formula C20H19N5OS
Exact Mass 377.131031 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 G4K8ahIAMPr
Name 2-({[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.131031425 u
Formula C20H19N5OS
InChI InChI=1S/C20H19N5OS/c1-3-12-25-19(14-8-10-15(26-2)11-9-14)23-24-20(25)27-13-18-21-16-6-4-5-7-17(16)22-18/h3-11H,1,12-13H2,2H3,(H,21,22)
InChIKey UTACMQFEMOHFHS-UHFFFAOYSA-N
Molecular Weight 377.466 g/mol
SMILES N1C2=CC=CC=C2N=C1CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC=C