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

View entire compound with spectra: 2 NMR

N-(4-bromophenyl)-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID HbIQszzAXLW
InChI InChI=1S/C22H19BrN4O3S/c1-29-18-5-2-4-15(12-18)21-25-26-22(27(21)13-19-6-3-11-30-19)31-14-20(28)24-17-9-7-16(23)8-10-17/h2-12H,13-14H2,1H3,(H,24,28)
InChIKey BOPSIWWRZUXBEU-UHFFFAOYSA-N
Mol Weight 499.38 g/mol
Molecular Formula C22H19BrN4O3S
Exact Mass 498.036125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jPu9WEdedU
Name N-(4-Bromophenyl)-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-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 498.036124659 u
Formula C22H19BrN4O3S
InChI InChI=1S/C22H19BrN4O3S/c1-29-18-5-2-4-15(12-18)21-25-26-22(27(21)13-19-6-3-11-30-19)31-14-20(28)24-17-9-7-16(23)8-10-17/h2-12H,13-14H2,1H3,(H,24,28)
InChIKey BOPSIWWRZUXBEU-UHFFFAOYSA-N
Molecular Weight 499.383 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)CC=1OC=CC1)=O)C=1C=CC(=CC1)Br