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3-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID LCI1TTuOukt
InChI InChI=1S/C15H12ClN3S/c16-14-9-5-4-6-12(14)10-20-15-18-17-11-19(15)13-7-2-1-3-8-13/h1-9,11H,10H2
InChIKey PNYQMFOCAQMDLF-UHFFFAOYSA-N
Mol Weight 301.8 g/mol
Molecular Formula C15H12ClN3S
Exact Mass 301.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bcy4PaCniMM
Name 3-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Alternate Name(s) 3-[(2-chlorobenzyl)thio]-4-phenyl-1,2,4-triazole 3-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-[(2-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazole
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Formula C15H12ClN3S
InChI InChI=1S/C15H12ClN3S/c16-14-9-5-4-6-12(14)10-20-15-18-17-11-19(15)13-7-2-1-3-8-13/h1-9,11H,10H2
InChIKey PNYQMFOCAQMDLF-UHFFFAOYSA-N
Molecular Weight 301.795 g/mol
SMILES c1ccc(-[n]2c(nnc2)SCc2c(Cl)cccc2)cc1
SPLASH splash10-016r-6690000000-46e15e9aa656fccb86b5
Wiley ID 1466561