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

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N-(3-bromophenyl)-2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 3gzqnUvocss
InChI InChI=1S/C21H16BrClN4O2S/c22-14-5-3-6-15(11-14)24-19(28)13-30-21-26-25-20(17-8-1-2-9-18(17)23)27(21)12-16-7-4-10-29-16/h1-11H,12-13H2,(H,24,28)
InChIKey BJAGMNCWWSUPAZ-UHFFFAOYSA-N
Mol Weight 503.8 g/mol
Molecular Formula C21H16BrClN4O2S
Exact Mass 501.986588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36b3Sr6NWnG
Name N-(3-Bromophenyl)-2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-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 501.986587643 u
Formula C21H16BrClN4O2S
InChI InChI=1S/C21H16BrClN4O2S/c22-14-5-3-6-15(11-14)24-19(28)13-30-21-26-25-20(17-8-1-2-9-18(17)23)27(21)12-16-7-4-10-29-16/h1-11H,12-13H2,(H,24,28)
InChIKey BJAGMNCWWSUPAZ-UHFFFAOYSA-N
Molecular Weight 503.802 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC=1OC=CC1)=O)C=1C=C(Br)C=CC1