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Isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-thiomorpholinylmethyl)-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID BZArGqBoEbC
InChI InChI=1S/C13H19N7O3S/c1-8(2)22-13(21)10-9(7-19-3-5-24-6-4-19)20(18-15-10)12-11(14)16-23-17-12/h8H,3-7H2,1-2H3,(H2,14,16)
InChIKey MOCSINLBATVGJM-UHFFFAOYSA-N
Mol Weight 353.4 g/mol
Molecular Formula C13H19N7O3S
Exact Mass 353.127009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnQP1VKsmAb
Name Isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-thiomorpholinylmethyl)-1H-1,2,3-triazole-4-carboxylate
Alternate Name(s) 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiomorpholin-4-ylmethyl)-4-triazolecarboxylic acid propan-2-yl ester 1-(4-aminofurazan-3-yl)-5-(thiomorpholinomethyl)triazole-4-carboxylic acid isopropyl ester Furazan-3-amine, 4-[4-isopropoxycarbonyl-5-(4-thiomorpholylmethyl)-1H-1,2,3-triazol-1-yl]- isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiomorpholinomethyl)triazole-4-carboxylate Propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiomorpholin-4-ylmethyl)triazole-4-carboxylate Propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(thiomorpholin-4-ylmethyl)-1,2,3-triazole-4-carboxylate
CAS Registry Number 340014-38-2
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Formula C13H19N7O3S
InChI InChI=1S/C13H19N7O3S/c1-8(2)22-13(21)10-9(7-19-3-5-24-6-4-19)20(18-15-10)12-11(14)16-23-17-12/h8H,3-7H2,1-2H3,(H2,14,16)
InChIKey MOCSINLBATVGJM-UHFFFAOYSA-N
Molecular Weight 353.401 g/mol
SMILES Nc1c(-[n]2c(c(C(OC(C)C)=O)nn2)CN2CCSCC2)non1
SPLASH splash10-014i-5920000000-eb93d4a59be5c26e2258
Source of Spectrum AD-0-2532-0
Wiley ID 1428122