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ethanone, 1-[3-[[[5-(2-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-2,4,6-trimethylphenyl]-
SpectraBase Compound ID 8AO4gwqg5qi
InChI InChI=1S/C24H23N3O2S/c1-15-13-16(2)22(18(4)28)17(3)20(15)14-30-24-26-25-23(21-11-8-12-29-21)27(24)19-9-6-5-7-10-19/h5-13H,14H2,1-4H3
InChIKey VZEHKADWTBTQJR-UHFFFAOYSA-N
Mol Weight 417.53 g/mol
Molecular Formula C24H23N3O2S
Exact Mass 417.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbfwCOK1wZm
Name 1-[3-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone
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Formula C24H23N3O2S
InChI InChI=1S/C24H23N3O2S/c1-15-13-16(2)22(18(4)28)17(3)20(15)14-30-24-26-25-23(21-11-8-12-29-21)27(24)19-9-6-5-7-10-19/h5-13H,14H2,1-4H3
InChIKey VZEHKADWTBTQJR-UHFFFAOYSA-N
Molecular Weight 417.527 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2c(c(C(=O)C)c(cc2C)C)C)-c2occc2)cc1
SPLASH splash10-00bc-6911000000-de721fb61af158ec8732
Synonyms 1-[3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone 1-[3-[[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2,4,6-trimethylphenyl]ethanone 1-[3-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2,4,6-trimethyl-phenyl]ethanone
Wiley ID 1447027