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5-[(3-Bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID ATprSUT0Qs9
InChI InChI=1S/C15H12BrN3OS/c16-11-5-4-8-13(9-11)20-10-14-17-18-15(21)19(14)12-6-2-1-3-7-12/h1-9H,10H2,(H,18,21)
InChIKey JTXDZJLIAVWZRX-UHFFFAOYSA-N
Mol Weight 362.25 g/mol
Molecular Formula C15H12BrN3OS
Exact Mass 360.988446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XBkmRfcsK5
Name 5-[(3-Bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Alternate Name(s) 3-[(3-bromanylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 3-[(3-bromophenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 5-(3-Bromo-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
CAS Registry Number 346597-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12BrN3OS
InChI InChI=1S/C15H12BrN3OS/c16-11-5-4-8-13(9-11)20-10-14-17-18-15(21)19(14)12-6-2-1-3-7-12/h1-9H,10H2,(H,18,21)
InChIKey JTXDZJLIAVWZRX-UHFFFAOYSA-N
Molecular Weight 362.245 g/mol
SMILES Sc1[n](c(nn1)COc1cc(Br)ccc1)-c1ccccc1
SPLASH splash10-0006-2902000000-dc33c48a562aa1532710
Wiley ID 1460830