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1-(4-chlorophenyl)-2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

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1-(4-chlorophenyl)-2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
SpectraBase Compound ID 180EwiD5y3Z
InChI InChI=1S/C20H15ClN4O2S/c21-16-7-5-14(6-8-16)18(26)13-28-20-24-23-19(15-3-1-9-22-11-15)25(20)12-17-4-2-10-27-17/h1-11H,12-13H2
InChIKey XKUVXZSYTNDQRE-UHFFFAOYSA-N
Mol Weight 410.88 g/mol
Molecular Formula C20H15ClN4O2S
Exact Mass 410.060425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Np2eQn0eTh
Name 1-(4-Chlorophenyl)-2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.060424611 u
Formula C20H15ClN4O2S
InChI InChI=1S/C20H15ClN4O2S/c21-16-7-5-14(6-8-16)18(26)13-28-20-24-23-19(15-3-1-9-22-11-15)25(20)12-17-4-2-10-27-17/h1-11H,12-13H2
InChIKey XKUVXZSYTNDQRE-UHFFFAOYSA-N
Molecular Weight 410.879 g/mol
SMILES C1=CN=CC(C=2N(C(=NN2)SCC(C=2C=CC(=CC2)Cl)=O)CC=2OC=CC2)=C1