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methyl 4-[({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

View entire compound with spectra: 2 NMR

methyl 4-[({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID IxgI56izchD
InChI InChI=1S/C26H24N4O4S/c1-17-4-6-18(7-5-17)24-28-29-26(30(24)21-12-14-22(33-2)15-13-21)35-16-23(31)27-20-10-8-19(9-11-20)25(32)34-3/h4-15H,16H2,1-3H3,(H,27,31)
InChIKey KMPUTADESGOKFV-UHFFFAOYSA-N
Mol Weight 488.56 g/mol
Molecular Formula C26H24N4O4S
Exact Mass 488.151826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TAa2JCk2Vj
Name Methyl 4-[({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.151826439 u
Formula C26H24N4O4S
InChI InChI=1S/C26H24N4O4S/c1-17-4-6-18(7-5-17)24-28-29-26(30(24)21-12-14-22(33-2)15-13-21)35-16-23(31)27-20-10-8-19(9-11-20)25(32)34-3/h4-15H,16H2,1-3H3,(H,27,31)
InChIKey KMPUTADESGOKFV-UHFFFAOYSA-N
Molecular Weight 488.562 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)OC)=O)C=1C=CC(C(=O)OC)=CC1