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2-((4-(4-Bromophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methyl-4-oxothiazolidin-2-ylidene) acetohydrazide
SpectraBase Compound ID 3IbJ861PDvQ
InChI InChI=1S/C18H15BrN6O3S2/c1-24-15(27)10-30-17(24)22-20-14(26)9-29-18-23-21-16(13-3-2-8-28-13)25(18)12-6-4-11(19)5-7-12/h2-8H,9-10H2,1H3,(H,20,26)
InChIKey LZJPKJVKXCAVAV-UHFFFAOYSA-N
Mol Weight 507.38 g/mol
Molecular Formula C18H15BrN6O3S2
Exact Mass 505.983044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hIQ4yDpARu
Name 2-((4-(4-Bromophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methyl-4-oxothiazolidin-2-ylidene) acetohydrazide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15BrN6O3S2
InChI InChI=1S/C18H15BrN6O3S2/c1-24-15(27)10-30-17(24)22-20-14(26)9-29-18-23-21-16(13-3-2-8-28-13)25(18)12-6-4-11(19)5-7-12/h2-8H,9-10H2,1H3,(H,20,26)
InChIKey LZJPKJVKXCAVAV-UHFFFAOYSA-N
Instrument Name VG zab Spec
Ionization Type EI positive ion
Literature Reference DOI 10.1002/jhet.4159
Molecular Weight 507.381 g/mol
SMILES N(C(CSc1[n](-c2ccc(Br)cc2)c(nn1)-c1occc1)=O)N=C1SCC(N1C)=O
SPLASH splash10-03di-0319010000-d8ce85f4cfa38e18f918
Source of Spectrum Y-58-SM10-6a
Wiley ID 1880863