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2-(2-((4-(4-Bromophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetyl)-N-methylhydrazinecarbothioamide
SpectraBase Compound ID LO04EZB2IYa
InChI InChI=1S/C16H15BrN6O2S2/c1-18-15(26)21-19-13(24)9-27-16-22-20-14(12-3-2-8-25-12)23(16)11-6-4-10(17)5-7-11/h2-8H,9H2,1H3,(H,19,24)(H2,18,21,26)
InChIKey XFTYRFHYPOMPQV-UHFFFAOYSA-N
Mol Weight 467.36 g/mol
Molecular Formula C16H15BrN6O2S2
Exact Mass 465.988129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKSutkNzSfY
Name 2-(2-((4-(4-Bromophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetyl)-N-methylhydrazinecarbothioamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15BrN6O2S2
InChI InChI=1S/C16H15BrN6O2S2/c1-18-15(26)21-19-13(24)9-27-16-22-20-14(12-3-2-8-25-12)23(16)11-6-4-10(17)5-7-11/h2-8H,9H2,1H3,(H,19,24)(H2,18,21,26)
InChIKey XFTYRFHYPOMPQV-UHFFFAOYSA-N
Instrument Name VG zab Spec
Ionization Type EI positive ion
Literature Reference DOI 10.1002/jhet.4159
Molecular Weight 467.360 g/mol
SMILES N(C(CSc1[n](-c2ccc(Br)cc2)c(nn1)-c1occc1)=O)NC(=S)NC
SPLASH splash10-00di-2449200000-b91a571385c588233dc5
Source of Spectrum Y-58-SM3-5a
Wiley ID 1880862