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1-(4'-Chlorobenzyl)-3-methylthio-5-(4'-chlorophenyl)-1H-1,2,4-triazole
SpectraBase Compound ID 1faGWGDfjLI
InChI InChI=1S/C16H13Cl2N3S/c1-22-16-19-15(12-4-8-14(18)9-5-12)21(20-16)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKey VGOWSHVARFWHNI-UHFFFAOYSA-N
Mol Weight 350.27 g/mol
Molecular Formula C16H13Cl2N3S
Exact Mass 349.020724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpgT3w3GxRd
Name 1-(4'-Chlorobenzyl)-3-methylthio-5-(4'-chlorophenyl)-1H-1,2,4-triazole
Comments Less than 3 mono-isotopic peaks
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Formula C16H13Cl2N3S
InChI InChI=1S/C16H13Cl2N3S/c1-22-16-19-15(12-4-8-14(18)9-5-12)21(20-16)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKey VGOWSHVARFWHNI-UHFFFAOYSA-N
Molecular Weight 350.267 g/mol
SMILES c1(nc(n[n]1Cc1ccc(cc1)Cl)SC)-c1ccc(cc1)Cl
SPLASH splash10-004i-0903000000-e2f2cda632dacb2ab6bd
Source of Spectrum Y-34-735-7
Synonyms 1-(4'-Chlorobenzyl)-3-methylthio-5-(4'-chlorophenyl)-1H-1,2,4-triazol4 1-(4-chlorobenzyl)-5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl methyl sulfide 1-(4-chlorobenzyl)-5-(4-chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-(methylthio)-1,2,4-triazole 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-methylsulfanyl-1,2,4-triazole
Wiley ID 1341264