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ethanone, 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)-

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

ethanone, 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)-
SpectraBase Compound ID FUIBc6xcJTE
InChI InChI=1S/C23H21N3O2S2/c1-16-10-11-19(13-17(16)2)28-14-22-24-25-23(26(22)18-7-4-3-5-8-18)30-15-20(27)21-9-6-12-29-21/h3-13H,14-15H2,1-2H3
InChIKey NJBJOPPKYFQSOH-UHFFFAOYSA-N
Mol Weight 435.56 g/mol
Molecular Formula C23H21N3O2S2
Exact Mass 435.107519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11iuQeg16QC
Name 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone
Alternate Name(s) 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone
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Formula C23H21N3O2S2
InChI InChI=1S/C23H21N3O2S2/c1-16-10-11-19(13-17(16)2)28-14-22-24-25-23(26(22)18-7-4-3-5-8-18)30-15-20(27)21-9-6-12-29-21/h3-13H,14-15H2,1-2H3
InChIKey NJBJOPPKYFQSOH-UHFFFAOYSA-N
Molecular Weight 435.560 g/mol
SMILES c1ccc(-[n]2c(nnc2COc2cc(C)c(cc2)C)SCC(c2sccc2)=O)cc1
SPLASH splash10-03di-6915000000-e5dedf06a1b6c2223c8a
Wiley ID 1463646