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4-(2-methylphenyl)-5-(2-quinolinyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-(2-methylphenyl)-5-(2-quinolinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 8tTBS88WATO
InChI InChI=1S/C18H14N4S/c1-12-6-2-5-9-16(12)22-17(20-21-18(22)23)15-11-10-13-7-3-4-8-14(13)19-15/h2-11H,1H3,(H,21,23)
InChIKey MOXHKAYPCUIFIO-UHFFFAOYSA-N
Mol Weight 318.4 g/mol
Molecular Formula C18H14N4S
Exact Mass 318.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C46mXbBBIkY
Name 4-(2-Methylphenyl)-3-(2-quinolinyl)-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4S
InChI InChI=1S/C18H14N4S/c1-12-6-2-5-9-16(12)22-17(20-21-18(22)23)15-11-10-13-7-3-4-8-14(13)19-15/h2-11H,1H3,(H,21,23)
InChIKey MOXHKAYPCUIFIO-UHFFFAOYSA-N
Molecular Weight 318.398 g/mol
SMILES Sc1[n](c(nn1)-c1nc2ccccc2cc1)-c1c(C)cccc1
SPLASH splash10-07y0-2931000000-b8044413c509eb35bc39
Synonyms 4-(2-Methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione 4-(o-tolyl)-3-(2-quinolyl)-1H-1,2,4-triazole-5-thione 5-Quinolin-2-yl-4-O-tolyl-4H-[1,2,4]triazole-3-thiol
Wiley ID 1450692