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

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N-(3-methoxyphenyl)-2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID 48FMb8RFetH
InChI InChI=1S/C26H26N4O2S2/c1-18-10-12-23(13-11-18)33-16-24-28-29-26(30(24)21-8-4-6-19(2)14-21)34-17-25(31)27-20-7-5-9-22(15-20)32-3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKey GUXKAWFGTPPZBK-UHFFFAOYSA-N
Mol Weight 490.64 g/mol
Molecular Formula C26H26N4O2S2
Exact Mass 490.149718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1zjooTOIV5
Name N-(3-Methoxyphenyl)-2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-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 490.149718439 u
Formula C26H26N4O2S2
InChI InChI=1S/C26H26N4O2S2/c1-18-10-12-23(13-11-18)33-16-24-28-29-26(30(24)21-8-4-6-19(2)14-21)34-17-25(31)27-20-7-5-9-22(15-20)32-3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKey GUXKAWFGTPPZBK-UHFFFAOYSA-N
Molecular Weight 490.640 g/mol
SMILES N(C(CSC=1N(C(=NN1)CSC1=CC=C(C=C1)C)C=1C=C(C)C=CC1)=O)C1=CC(OC)=CC=C1