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acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 1P8ap3x6NYW
InChI InChI=1S/C26H25FN4O3S/c1-33-22-12-11-18(15-23(22)34-2)13-14-28-24(32)17-35-26-30-29-25(19-7-6-8-20(27)16-19)31(26)21-9-4-3-5-10-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,32)
InChIKey CHONZSZOGUMNCG-UHFFFAOYSA-N
Mol Weight 492.57 g/mol
Molecular Formula C26H25FN4O3S
Exact Mass 492.16314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VAItbTXwoF
Name 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-homoveratryl-acetamide
Alternate Name(s) N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
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Formula C26H25FN4O3S
InChI InChI=1S/C26H25FN4O3S/c1-33-22-12-11-18(15-23(22)34-2)13-14-28-24(32)17-35-26-30-29-25(19-7-6-8-20(27)16-19)31(26)21-9-4-3-5-10-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,32)
InChIKey CHONZSZOGUMNCG-UHFFFAOYSA-N
Molecular Weight 492.569 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cc(F)ccc1)-c1ccccc1)=O)CCc1cc(OC)c(cc1)OC
SPLASH splash10-03di-3900000000-50adab32e712079a7272
Wiley ID 1459912