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

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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
SpectraBase Compound ID 2l2aUbg4Cnp
InChI InChI=1S/C29H32N4OS/c1-6-21-9-15-24(16-10-21)30-26(34)19-35-28-32-31-27(33(28)25-17-7-20(2)8-18-25)22-11-13-23(14-12-22)29(3,4)5/h7-18H,6,19H2,1-5H3,(H,30,34)
InChIKey OTYNKYNHFKQZAK-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C29H32N4OS
Exact Mass 484.229683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ar3THq9VEW3
Name 2-{[5-(4-Tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.229682839 u
Formula C29H32N4OS
InChI InChI=1S/C29H32N4OS/c1-6-21-9-15-24(16-10-21)30-26(34)19-35-28-32-31-27(33(28)25-17-7-20(2)8-18-25)22-11-13-23(14-12-22)29(3,4)5/h7-18H,6,19H2,1-5H3,(H,30,34)
InChIKey OTYNKYNHFKQZAK-UHFFFAOYSA-N
Molecular Weight 484.662 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)C=1C=CC(=CC1)C)=O)C=1C=CC(=CC1)CC