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

*Links on SpectraBase are not permalinks.

2-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-(2-phenylethyl)-1H-benzimidazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-(2-phenylethyl)-1H-benzimidazole
SpectraBase Compound ID LZ95ZiT0fd6
InChI InChI=1S/C30H24ClN5S/c31-25-16-8-7-15-24(25)29-33-34-30(36(29)23-13-5-2-6-14-23)37-21-28-32-26-17-9-10-18-27(26)35(28)20-19-22-11-3-1-4-12-22/h1-18H,19-21H2
InChIKey DGPSDJQDSAWXEO-UHFFFAOYSA-N
Mol Weight 522.07 g/mol
Molecular Formula C30H24ClN5S
Exact Mass 521.144095 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 DaarJ5sfAzg
Name 2-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-(2-phenylethyl)-1H-benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.144094667 u
Formula C30H24ClN5S
InChI InChI=1S/C30H24ClN5S/c31-25-16-8-7-15-24(25)29-33-34-30(36(29)23-13-5-2-6-14-23)37-21-28-32-26-17-9-10-18-27(26)35(28)20-19-22-11-3-1-4-12-22/h1-18H,19-21H2
InChIKey DGPSDJQDSAWXEO-UHFFFAOYSA-N
Molecular Weight 522.070 g/mol
SMILES C=1(N(C(SCC=2N(C=3C=CC=CC3N2)CCC2=CC=CC=C2)=NN1)C=1C=CC=CC1)C=1C(Cl)=CC=CC1