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1-[3-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-[3-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone
SpectraBase Compound ID Lkv7cLG5w1f
InChI InChI=1S/C24H20ClN3O2S/c1-16(29)18-10-13-22(30-2)19(14-18)15-31-24-27-26-23(17-8-11-20(25)12-9-17)28(24)21-6-4-3-5-7-21/h3-14H,15H2,1-2H3
InChIKey JDCZMOHWNQSEOF-UHFFFAOYSA-N
Mol Weight 449.96 g/mol
Molecular Formula C24H20ClN3O2S
Exact Mass 449.096476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KZifNPH5pO
Name 1-[3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone
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Formula C24H20ClN3O2S
InChI InChI=1S/C24H20ClN3O2S/c1-16(29)18-10-13-22(30-2)19(14-18)15-31-24-27-26-23(17-8-11-20(25)12-9-17)28(24)21-6-4-3-5-7-21/h3-14H,15H2,1-2H3
InChIKey JDCZMOHWNQSEOF-UHFFFAOYSA-N
Molecular Weight 449.956 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2cc(C(=O)C)ccc2OC)-c2ccc(cc2)Cl)cc1
SPLASH splash10-01ox-9810100000-656de1d4a309672ffb2c
Synonyms 1-[3-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone 1-[3-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]ethanone
Wiley ID 1447271