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ethanone, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(1-naphthalenyl)-
SpectraBase Compound ID 9KNyOr61um5
InChI InChI=1S/C26H18FN3OS/c27-20-11-6-10-19(16-20)25-28-29-26(30(25)21-12-2-1-3-13-21)32-17-24(31)23-15-7-9-18-8-4-5-14-22(18)23/h1-16H,17H2
InChIKey XGDKQJPGCLAYEQ-UHFFFAOYSA-N
Mol Weight 439.51 g/mol
Molecular Formula C26H18FN3OS
Exact Mass 439.115462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEYrD3cq5kl
Name 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-naphthyl)ethanone
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Formula C26H18FN3OS
InChI InChI=1S/C26H18FN3OS/c27-20-11-6-10-19(16-20)25-28-29-26(30(25)21-12-2-1-3-13-21)32-17-24(31)23-15-7-9-18-8-4-5-14-22(18)23/h1-16H,17H2
InChIKey XGDKQJPGCLAYEQ-UHFFFAOYSA-N
Molecular Weight 439.508 g/mol
SMILES c1ccc(-[n]2c(nnc2SCC(c2c3c(cccc3)ccc2)=O)-c2cc(F)ccc2)cc1
SPLASH splash10-0a6s-1902000000-1ae1095374cc32810a95
Synonyms 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-1-yl-ethanone 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-naphthalenyl)ethanone 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-naphthyl)ethanone
Wiley ID 1461332