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

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2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Dh6B0lgq2Go
InChI InChI=1S/C18H18N4O2S/c1-12-4-3-5-13(10-12)17-20-21-18(25-11-16(19)23)22(17)14-6-8-15(24-2)9-7-14/h3-10H,11H2,1-2H3,(H2,19,23)
InChIKey XQDXHKNMHYYDRT-UHFFFAOYSA-N
Mol Weight 354.43 g/mol
Molecular Formula C18H18N4O2S
Exact Mass 354.115047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33IpKcwnltO
Name 2-{[4-(4-Methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.115047008 u
Formula C18H18N4O2S
InChI InChI=1S/C18H18N4O2S/c1-12-4-3-5-13(10-12)17-20-21-18(25-11-16(19)23)22(17)14-6-8-15(24-2)9-7-14/h3-10H,11H2,1-2H3,(H2,19,23)
InChIKey XQDXHKNMHYYDRT-UHFFFAOYSA-N
Molecular Weight 354.428 g/mol
SMILES NC(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C1=CC=C(C=C1)OC)=O