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2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID FfTcIgeJjmI
InChI InChI=1S/C17H14ClN5O3S/c18-12-3-1-2-4-13(12)23-17(20-21-22-23)27-10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKey ZZPQJNOQWWXZFH-UHFFFAOYSA-N
Mol Weight 403.84 g/mol
Molecular Formula C17H14ClN5O3S
Exact Mass 403.050588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1o1vfJ09eeI
Name 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Alternate Name(s) 2-[[1-(2-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide 2-[[1-(2-chlorophenyl)-5-tetrazolyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[[1-(2-chlorophenyl)tetrazol-5-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
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Formula C17H14ClN5O3S
InChI InChI=1S/C17H14ClN5O3S/c18-12-3-1-2-4-13(12)23-17(20-21-22-23)27-10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKey ZZPQJNOQWWXZFH-UHFFFAOYSA-N
Molecular Weight 403.844 g/mol
SMILES N(C(CSc1nnn[n]1-c1c(cccc1)Cl)=O)c1ccc2c(c1)OCCO2
SPLASH splash10-0udi-2900000000-8e540ed29c9f433d828c
Wiley ID 1445675