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Ethyl 7-(4-methylphenyl)-2-methylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID HSyx0I8vFfb
InChI InChI=1S/C17H19ClN4O2S/c1-4-24-15(23)13-12(9-18)19-16-20-17(25-3)21-22(16)14(13)11-7-5-10(2)6-8-11/h5-8,14H,4,9H2,1-3H3,(H,19,20,21)
InChIKey WADABDYXMHOYRD-UHFFFAOYSA-N
Mol Weight 378.88 g/mol
Molecular Formula C17H19ClN4O2S
Exact Mass 378.091725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f6HgTxylH5
Name Ethyl 7-(4-methylphenyl)-2-methylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Alternate Name(s) 5-(chloromethyl)-7-(4-methylphenyl)-2-(methylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 5-(chloromethyl)-2-methylsulfanyl-7-(p-tolyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 5-(chloromethyl)-7-(4-methylphenyl)-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
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Formula C17H19ClN4O2S
InChI InChI=1S/C17H19ClN4O2S/c1-4-24-15(23)13-12(9-18)19-16-20-17(25-3)21-22(16)14(13)11-7-5-10(2)6-8-11/h5-8,14H,4,9H2,1-3H3,(H,19,20,21)
InChIKey WADABDYXMHOYRD-UHFFFAOYSA-N
Molecular Weight 378.878 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SC)c1ccc(cc1)C)C(=O)OCC)CCl
SPLASH splash10-02bo-0259000000-e01155d5fca19a44780f
Source of Spectrum Y-46-144-5i
Wiley ID 1666710