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2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
SpectraBase Compound ID 96sU89sb9kH
InChI InChI=1S/C17H14F3N5O2S/c1-28-14-8-2-11(3-9-14)16-22-24-25(23-16)10-15(26)21-12-4-6-13(7-5-12)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKey VYZABOCEWICXAP-UHFFFAOYSA-N
Mol Weight 409.39 g/mol
Molecular Formula C17H14F3N5O2S
Exact Mass 409.08203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiyGBGaccAH
Name 2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Alternate Name(s) 2-[5-[4-(methylthio)phenyl]-2-tetrazolyl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[5-[4-(methylthio)phenyl]tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3N5O2S
InChI InChI=1S/C17H14F3N5O2S/c1-28-14-8-2-11(3-9-14)16-22-24-25(23-16)10-15(26)21-12-4-6-13(7-5-12)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKey VYZABOCEWICXAP-UHFFFAOYSA-N
Molecular Weight 409.387 g/mol
SMILES N(C(C[n]1nc(nn1)-c1ccc(cc1)SC)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0f6t-6920000000-96c55d1da619e5746d52
Wiley ID 1442591