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1,2,5-Oxadiazol-3-amine, 4-[5-[[(2-chlorophenyl)methyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID KBWCYgeqU5R
InChI InChI=1S/C13H13ClN6OS/c1-2-20-12(10-11(15)19-21-18-10)16-17-13(20)22-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H2,15,19)
InChIKey HOZXXFODDAZHQW-UHFFFAOYSA-N
Mol Weight 336.8 g/mol
Molecular Formula C13H13ClN6OS
Exact Mass 336.056008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bHlC7Pihx1
Name 1,2,5-Oxadiazol-3-amine, 4-[5-[[(2-chlorophenyl)methyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]-
Alternate Name(s) 4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine 4-[5-[(2-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine 4-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
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Formula C13H13ClN6OS
InChI InChI=1S/C13H13ClN6OS/c1-2-20-12(10-11(15)19-21-18-10)16-17-13(20)22-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H2,15,19)
InChIKey HOZXXFODDAZHQW-UHFFFAOYSA-N
Molecular Weight 336.801 g/mol
SMILES Nc1c(-c2[n](CC)c(SCc3ccccc3Cl)nn2)non1
SPLASH splash10-0fb9-4925000000-5d2c826ac9e8dccaebe4
Source of Spectrum IY-2-4963-4
Wiley ID 1657617