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2-[4-(benzo[1,2,5]oxadiazol-5-ylmethoxy)-phenyl]-thiazole-4-carbothioic acid S-(3-trifluoromethyl-phenyl) ester
SpectraBase Compound ID E11ITBC5FEU
InChI InChI=1S/C24H14F3N3O3S2/c25-24(26,27)16-2-1-3-18(11-16)35-23(31)21-13-34-22(28-21)15-5-7-17(8-6-15)32-12-14-4-9-19-20(10-14)30-33-29-19/h1-11,13H,12H2
InChIKey IMCLVHCYZAOXSP-UHFFFAOYSA-N
Mol Weight 513.51 g/mol
Molecular Formula C24H14F3N3O3S2
Exact Mass 513.042868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Va6VCg4qm7
Name 2-[4-(benzo[1,2,5]oxadiazol-5-ylmethoxy)-phenyl]-thiazole-4-carbothioic acid S-(3-trifluoromethyl-phenyl) ester
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Formula C24H14F3N3O3S2
InChI InChI=1S/C24H14F3N3O3S2/c25-24(26,27)16-2-1-3-18(11-16)35-23(31)21-13-34-22(28-21)15-5-7-17(8-6-15)32-12-14-4-9-19-20(10-14)30-33-29-19/h1-11,13H,12H2
InChIKey IMCLVHCYZAOXSP-UHFFFAOYSA-N
Molecular Weight 513.509 g/mol
SMILES c1(nc(-c2ccc(OCc3cc4nonc4cc3)cc2)sc1)C(Sc1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-000i-4749000000-5c5aa40c2f1675bb22c6
Synonyms 2-[4-(2,1,3-benzoxadiazol-5-ylmethoxy)phenyl]-4-thiazolecarbothioic acid S-[3-(trifluoromethyl)phenyl]ester 2-[4-(benzofurazan-5-ylmethoxy)phenyl]thiazole-4-carbothioic acid S-[3-(trifluoromethyl)phenyl]ester S-[3-(trifluoromethyl)phenyl]2-[4-(2,1,3-benzoxadiazol-5-ylmethoxy)phenyl]-1,3-thiazole-4-carbothioate S-[3-(trifluoromethyl)phenyl]2-[4-(2,1,3-benzoxadiazol-5-ylmethoxy)phenyl]thiazole-4-carbothioate 2-[4-(2,1,3-benzoxadiazol-5-ylmethoxy)phenyl]-4-thiazolecarbothioic acid S-[3-(trifluoromethyl)phenyl] ester S-[3-(trifluoromethyl)phenyl] 2-[4-(2,1,3-benzoxadiazol-5-ylmethoxy)phenyl]thiazole-4-carbothioate S-[3-(trifluoromethyl)phenyl] 2-[4-(2,1,3-benzoxadiazol-5-ylmethoxy)phenyl]-1,3-thiazole-4-carbothioate
Wiley ID 1446995