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4-(4-Methylbenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol

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

4-(4-Methylbenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 6mT4v8RZnU9
InChI InChI=1S/C16H17N5S2/c1-10(2)13-9-23-15(18-13)14-19-20-16(22)21(14)17-8-12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,20,22)/b17-8+
InChIKey JIXTYJRCLSNYMD-CAOOACKPSA-N
Mol Weight 343.47 g/mol
Molecular Formula C16H17N5S2
Exact Mass 343.092538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SqFIZDWxbg
Name 4-(4-Methylbenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N5S2
InChI InChI=1S/C16H17N5S2/c1-10(2)13-9-23-15(18-13)14-19-20-16(22)21(14)17-8-12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,20,22)/b17-8+
InChIKey JIXTYJRCLSNYMD-CAOOACKPSA-N
Molecular Weight 343.467 g/mol
SMILES Sc1[n](c(-c2nc(C(C)C)cs2)nn1)\N=C\c1ccc(cc1)C
SPLASH splash10-0006-0009000000-d496bb4b43a97bee2691
Source of Spectrum F2-45-2072-6j
Synonyms 4-[(E)-(4-methylphenyl)methylideneamino]-3-(4-propan-2-yl-2-thiazolyl)-1H-1,2,4-triazole-5-thione 3-(4-isopropylthiazol-2-yl)-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazole-5-thione 4-[(E)-(4-methylphenyl)methylideneamino]-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-thione
Wiley ID 1688926