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3-methylbenzyl 5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide

View entire compound with spectra: 2 NMR

3-methylbenzyl 5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
SpectraBase Compound ID 9BANjma9bfb
InChI InChI=1S/C23H21N3S/c1-17-11-13-20(14-12-17)22-24-25-23(26(22)21-9-4-3-5-10-21)27-16-19-8-6-7-18(2)15-19/h3-15H,16H2,1-2H3
InChIKey ABEDLAIDNHVSRJ-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C23H21N3S
Exact Mass 371.145619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RRPY7HMkJg
Name 3-Methylbenzyl 5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.145618862 u
Formula C23H21N3S
InChI InChI=1S/C23H21N3S/c1-17-11-13-20(14-12-17)22-24-25-23(26(22)21-9-4-3-5-10-21)27-16-19-8-6-7-18(2)15-19/h3-15H,16H2,1-2H3
InChIKey ABEDLAIDNHVSRJ-UHFFFAOYSA-N
Molecular Weight 371.502 g/mol
SMILES C1=CC=C(N2C(=NN=C2SCC2=CC(C)=CC=C2)C=2C=CC(=CC2)C)C=C1