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3-(benzylthio)-5-(5-chlorobenzo[b]thien-3-yl)-4-methyl-4H-1,2,4-triazole

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(benzylthio)-5-(5-chlorobenzo[b]thien-3-yl)-4-methyl-4H-1,2,4-triazole
SpectraBase Compound ID K15xsfVIrjU
InChI InChI=1S/C18H14ClN3S2/c1-22-17(15-11-23-16-8-7-13(19)9-14(15)16)20-21-18(22)24-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKey WYLZRFABOFUEAX-UHFFFAOYSA-N
Mol Weight 371.9 g/mol
Molecular Formula C18H14ClN3S2
Exact Mass 371.031768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wMOoSfIwK8
Name 3-(BENZYLTHIO)-5-(5-CHLOROBENZO[b]THIEN-3-YL)-4-METHYL-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClN3S2
InChI InChI=1S/C18H14ClN3S2/c1-22-17(15-11-23-16-8-7-13(19)9-14(15)16)20-21-18(22)24-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKey WYLZRFABOFUEAX-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 149-151C
Molecular Weight 371.91
Solvent CDCl3; Reference=TMS; Temperature 297K