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1-[4-(METHYLSULFONYL)-PHENYL]-3-(4-METHYLPHENYL)-5-(METHYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 5B5SwPS5wI9
InChI InChI=1S/C17H17N3O2S2/c1-12-4-6-13(7-5-12)16-18-17(23-2)20(19-16)14-8-10-15(11-9-14)24(3,21)22/h4-11H,1-3H3
InChIKey PLWDZBWKYXAQCK-UHFFFAOYSA-N
Mol Weight 359.46 g/mol
Molecular Formula C17H17N3O2S2
Exact Mass 359.076219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xqQGpFh39h
Name 1-[4-(METHYLSULFONYL)-PHENYL]-3-(4-METHYLPHENYL)-5-(METHYLTHIO)-1H-1,2,4-TRIAZOLE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N3O2S2
InChI InChI=1S/C17H17N3O2S2/c1-12-4-6-13(7-5-12)16-18-17(23-2)20(19-16)14-8-10-15(11-9-14)24(3,21)22/h4-11H,1-3H3
InChIKey PLWDZBWKYXAQCK-UHFFFAOYSA-N
Literature Reference Author L.NAVIDPOUR,L.KARIMI,M.AMINI,M.VOSOOGHI,A.SHAFIEE
Literature Reference Citation J.HETCYCL.CHEM.,41,201(2004)
Literature Reference DOI 10.1002/jhet.5570410209
Molecular Weight 359.461 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWLU22208