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

View entire compound with spectra: 1 MS (GC)

4-(4-Bromobenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID oL0Tum6FDr
InChI InChI=1S/C15H14BrN5S2/c1-9(2)12-8-23-14(18-12)13-19-20-15(22)21(13)17-7-10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,20,22)/b17-7+
InChIKey HEMFJVTWWSDKBH-REZTVBANSA-N
Mol Weight 408.34 g/mol
Molecular Formula C15H14BrN5S2
Exact Mass 406.987401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CK9iOyWGQ48
Name 4-(4-Bromobenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14BrN5S2
InChI InChI=1S/C15H14BrN5S2/c1-9(2)12-8-23-14(18-12)13-19-20-15(22)21(13)17-7-10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,20,22)/b17-7+
InChIKey HEMFJVTWWSDKBH-REZTVBANSA-N
Molecular Weight 408.336 g/mol
SMILES Sc1[n](c(-c2nc(C(C)C)cs2)nn1)\N=C\c1ccc(cc1)Br
SPLASH splash10-0a4i-0000900000-839fb55fbdebd89917a9
Source of Spectrum F2-45-2071-6a
Synonyms 4-[(E)-(4-bromophenyl)methylideneamino]-3-(4-propan-2-yl-2-thiazolyl)-1H-1,2,4-triazole-5-thione 4-[(E)-(4-bromophenyl)methyleneamino]-3-(4-isopropylthiazol-2-yl)-1H-1,2,4-triazole-5-thione 4-[(E)-(4-bromophenyl)methylideneamino]-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-thione
Wiley ID 1688935