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4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl (2E)-3-phenyl-2-propenyl sulfide

View entire compound with spectra: 2 NMR

4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl (2E)-3-phenyl-2-propenyl sulfide
SpectraBase Compound ID BPb32RWK2aP
InChI InChI=1S/C20H18ClN3S/c1-2-14-24-19(17-10-12-18(21)13-11-17)22-23-20(24)25-15-6-9-16-7-4-3-5-8-16/h2-13H,1,14-15H2/b9-6+
InChIKey GGIHABHVWOHLRK-RMKNXTFCSA-N
Mol Weight 367.9 g/mol
Molecular Formula C20H18ClN3S
Exact Mass 367.090996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2emlNTXWsK8
Name 4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl (2E)-3-phenyl-2-propenyl sulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.090996466 u
Formula C20H18ClN3S
InChI InChI=1S/C20H18ClN3S/c1-2-14-24-19(17-10-12-18(21)13-11-17)22-23-20(24)25-15-6-9-16-7-4-3-5-8-16/h2-13H,1,14-15H2/b9-6+
InChIKey GGIHABHVWOHLRK-RMKNXTFCSA-N
Molecular Weight 367.898 g/mol
SMILES C=1C=CC(\C=C\CSC=2N(C(=NN2)C=2C=CC(=CC2)Cl)CC=C)=CC1