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

View entire compound with spectra: 2 NMR

2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 1NEoGCY6aY3
InChI InChI=1S/C24H21ClN4O2S/c1-16-7-11-18(12-8-16)29-23(20-5-3-4-6-21(20)25)27-28-24(29)32-15-22(30)26-17-9-13-19(31-2)14-10-17/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey GVRTUAVIDWFPNU-UHFFFAOYSA-N
Mol Weight 464.97 g/mol
Molecular Formula C24H21ClN4O2S
Exact Mass 464.107375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5o9zagKKdlP
Name 2-{[5-(2-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.107374804 u
Formula C24H21ClN4O2S
InChI InChI=1S/C24H21ClN4O2S/c1-16-7-11-18(12-8-16)29-23(20-5-3-4-6-21(20)25)27-28-24(29)32-15-22(30)26-17-9-13-19(31-2)14-10-17/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey GVRTUAVIDWFPNU-UHFFFAOYSA-N
Molecular Weight 464.971 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C=1C=CC(=CC1)C)=O)C=1C=CC(=CC1)OC