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propanamide, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)-
SpectraBase Compound ID ADAO9usZEKg
InChI InChI=1S/C26H25FN4OS/c1-16-13-17(2)23(18(3)14-16)28-25(32)19(4)33-26-30-29-24(20-9-8-10-21(27)15-20)31(26)22-11-6-5-7-12-22/h5-15,19H,1-4H3,(H,28,32)
InChIKey KFDMPMZLNZOTCI-UHFFFAOYSA-N
Mol Weight 460.57 g/mol
Molecular Formula C26H25FN4OS
Exact Mass 460.173311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTQPXpw944t
Name 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
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Formula C26H25FN4OS
InChI InChI=1S/C26H25FN4OS/c1-16-13-17(2)23(18(3)14-16)28-25(32)19(4)33-26-30-29-24(20-9-8-10-21(27)15-20)31(26)22-11-6-5-7-12-22/h5-15,19H,1-4H3,(H,28,32)
InChIKey KFDMPMZLNZOTCI-UHFFFAOYSA-N
Molecular Weight 460.571 g/mol
SMILES N(C(C(Sc1[n](c(nn1)-c1cc(F)ccc1)-c1ccccc1)C)=O)c1c(cc(cc1C)C)C
SPLASH splash10-0a6r-2910000000-e7267d56125e7ecddedc
Synonyms 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)propanamide 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-mesityl-propionamide 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylpropanamide
Wiley ID 1459909