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

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3-(5-chlorobenzo[b]thien-3-yl)-4-methyl-5-[(p-methylbenzyl)thio]-4H-1,2,4-triazole
SpectraBase Compound ID JzzLhKXOiOR
InChI InChI=1S/C19H16ClN3S2/c1-12-3-5-13(6-4-12)10-25-19-22-21-18(23(19)2)16-11-24-17-8-7-14(20)9-15(16)17/h3-9,11H,10H2,1-2H3
InChIKey OCQJMGCZLLDYOE-UHFFFAOYSA-N
Mol Weight 385.93 g/mol
Molecular Formula C19H16ClN3S2
Exact Mass 385.047418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LdaNsj2ywQx
Name 3-(5-CHLOROBENZO[b]THIEN-3-YL)-4-METHYL-5-[(p-METHYLBENZYL)THIO]-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 C19H16ClN3S2
InChI InChI=1S/C19H16ClN3S2/c1-12-3-5-13(6-4-12)10-25-19-22-21-18(23(19)2)16-11-24-17-8-7-14(20)9-15(16)17/h3-9,11H,10H2,1-2H3
InChIKey OCQJMGCZLLDYOE-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 187-189C
Molecular Weight 385.94
Solvent CDCl3; Reference=TMS; Temperature 297K