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2-{[1-(1,3-benzodioxol-5-yl)-1H-tetraazol-5-yl]sulfanyl}-N-mesitylacetamide

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2-{[1-(1,3-benzodioxol-5-yl)-1H-tetraazol-5-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID 324IJA2g0eP
InChI InChI=1S/C19H19N5O3S/c1-11-6-12(2)18(13(3)7-11)20-17(25)9-28-19-21-22-23-24(19)14-4-5-15-16(8-14)27-10-26-15/h4-8H,9-10H2,1-3H3,(H,20,25)
InChIKey JTOOZYDWIXGKMR-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C19H19N5O3S
Exact Mass 397.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID m08gVpccmd
Name 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
Alternate Name(s) 2-[[1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide 2-[[1-(1,3-benzodioxol-5-yl)-5-tetrazolyl]thio]-N-(2,4,6-trimethylphenyl)acetamide 2-[[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]thio]-N-mesityl-acetamide
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Formula C19H19N5O3S
InChI InChI=1S/C19H19N5O3S/c1-11-6-12(2)18(13(3)7-11)20-17(25)9-28-19-21-22-23-24(19)14-4-5-15-16(8-14)27-10-26-15/h4-8H,9-10H2,1-3H3,(H,20,25)
InChIKey JTOOZYDWIXGKMR-UHFFFAOYSA-N
Molecular Weight 397.453 g/mol
SMILES N(c1c(cc(cc1C)C)C)C(CSc1[n](nnn1)-c1cc2OCOc2cc1)=O
SPLASH splash10-07vi-3910000000-76359a60ed9585552572
Wiley ID 1460206