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2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 746CebVTkZN
InChI InChI=1S/C17H13F2N5O3S/c18-10-1-3-13(12(19)7-10)24-17(21-22-23-24)28-9-16(25)20-11-2-4-14-15(8-11)27-6-5-26-14/h1-4,7-8H,5-6,9H2,(H,20,25)
InChIKey RLMDGOALMZIEJK-UHFFFAOYSA-N
Mol Weight 405.38 g/mol
Molecular Formula C17H13F2N5O3S
Exact Mass 405.070717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Dyc5VaqfX8
Name 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
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Formula C17H13F2N5O3S
InChI InChI=1S/C17H13F2N5O3S/c18-10-1-3-13(12(19)7-10)24-17(21-22-23-24)28-9-16(25)20-11-2-4-14-15(8-11)27-6-5-26-14/h1-4,7-8H,5-6,9H2,(H,20,25)
InChIKey RLMDGOALMZIEJK-UHFFFAOYSA-N
Molecular Weight 405.380 g/mol
SMILES N(C(CSc1[n](nnn1)-c1c(cc(cc1)F)F)=O)c1cc2OCCOc2cc1
SPLASH splash10-0f89-3900000000-775d55159a72c8235294
Synonyms 2-[[1-(2,4-difluorophenyl)-5-tetrazolyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[[1-(2,4-difluorophenyl)tetrazol-5-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[[1-[2,4-bis(fluoranyl)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide 2-{[1-(2,4-difluorophenyl)-1H-tetraazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Wiley ID 1454763