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3-[(4-Bromobenzyl)sulfanyl]-5-(2-furyl)-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID Dgz4DUxY7ui
InChI InChI=1S/C19H14BrN3OS/c20-15-10-8-14(9-11-15)13-25-19-22-21-18(17-7-4-12-24-17)23(19)16-5-2-1-3-6-16/h1-12H,13H2
InChIKey ZXFUAZMJRNNCOI-UHFFFAOYSA-N
Mol Weight 412.31 g/mol
Molecular Formula C19H14BrN3OS
Exact Mass 411.004096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VqtMu5GySr
Name 3-[(4-Bromobenzyl)sulfanyl]-5-(2-furyl)-4-phenyl-4H-1,2,4-triazole
Alternate Name(s) 3-(4-Bromo-benzylsulfanyl)-5-furan-2-yl-4-phenyl-4H-[1,2,4]triazole 3-[(4-bromobenzyl)thio]-5-(2-furyl)-4-phenyl-1,2,4-triazole 3-[(4-bromophenyl)methylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole 3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole 3-[(4-bromophenyl)methylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole
CAS Registry Number 294874-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14BrN3OS
InChI InChI=1S/C19H14BrN3OS/c20-15-10-8-14(9-11-15)13-25-19-22-21-18(17-7-4-12-24-17)23(19)16-5-2-1-3-6-16/h1-12H,13H2
InChIKey ZXFUAZMJRNNCOI-UHFFFAOYSA-N
Molecular Weight 412.305 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2ccc(cc2)Br)-c2occc2)cc1
SPLASH splash10-02p0-6951200000-b2a833662a1e068d3007
Wiley ID 1462130