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

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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID 3dAQlRZcbNg
InChI InChI=1S/C29H32N4O4S/c1-29(2,3)20-9-7-19(8-10-20)27-31-32-28(33(27)22-12-14-23(35-4)15-13-22)38-18-26(34)30-21-11-16-24(36-5)25(17-21)37-6/h7-17H,18H2,1-6H3,(H,30,34)
InChIKey FAKFTZSSVWWJAB-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C29H32N4O4S
Exact Mass 532.214427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GyAz160PI8G
Name 2-{[5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.214426696 u
Formula C29H32N4O4S
InChI InChI=1S/C29H32N4O4S/c1-29(2,3)20-9-7-19(8-10-20)27-31-32-28(33(27)22-12-14-23(35-4)15-13-22)38-18-26(34)30-21-11-16-24(36-5)25(17-21)37-6/h7-17H,18H2,1-6H3,(H,30,34)
InChIKey FAKFTZSSVWWJAB-UHFFFAOYSA-N
Molecular Weight 532.659 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)C=1C=CC(=CC1)OC)=O)C=1C=C(OC)C(=CC1)OC