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2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
SpectraBase Compound ID 8CfFPNBISaE
InChI InChI=1S/C17H12ClF2N5O4S/c18-17(19,20)29-12-4-1-10(2-5-12)21-15(26)8-30-16-22-23-24-25(16)11-3-6-13-14(7-11)28-9-27-13/h1-7H,8-9H2,(H,21,26)
InChIKey MIHUWMGYYYQMCR-UHFFFAOYSA-N
Mol Weight 455.82 g/mol
Molecular Formula C17H12ClF2N5O4S
Exact Mass 455.026659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xfjpWB1TSR
Name 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
Alternate Name(s) 2-[[1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]ethanamide 2-[[1-(1,3-benzodioxol-5-yl)-5-tetrazolyl]thio]-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide 2-[[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]thio]-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
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Formula C17H12ClF2N5O4S
InChI InChI=1S/C17H12ClF2N5O4S/c18-17(19,20)29-12-4-1-10(2-5-12)21-15(26)8-30-16-22-23-24-25(16)11-3-6-13-14(7-11)28-9-27-13/h1-7H,8-9H2,(H,21,26)
InChIKey MIHUWMGYYYQMCR-UHFFFAOYSA-N
Molecular Weight 455.824 g/mol
SMILES N(C(CSc1[n](nnn1)-c1cc2OCOc2cc1)=O)c1ccc(OC(Cl)(F)F)cc1
SPLASH splash10-03di-3900000000-3f6356632b0e2c746122
Wiley ID 1460387