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Ethyl 7-(4-methoxyphenyl)-2-benzylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 3xasTsaY79
InChI InChI=1S/C23H24N4O3S/c1-4-30-21(28)19-15(2)24-22-25-23(31-14-16-8-6-5-7-9-16)26-27(22)20(19)17-10-12-18(29-3)13-11-17/h5-13,20H,4,14H2,1-3H3,(H,24,25,26)
InChIKey SZSNVMXCVUUMDX-UHFFFAOYSA-N
Mol Weight 436.53 g/mol
Molecular Formula C23H24N4O3S
Exact Mass 436.156912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5l0JRHJDTvH
Name Ethyl 7-(4-methoxyphenyl)-2-benzylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Alternate Name(s) 7-(4-Methoxyphenyl)-5-methyl-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-7-(4-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 7-(4-methoxyphenyl)-5-methyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
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Formula C23H24N4O3S
InChI InChI=1S/C23H24N4O3S/c1-4-30-21(28)19-15(2)24-22-25-23(31-14-16-8-6-5-7-9-16)26-27(22)20(19)17-10-12-18(29-3)13-11-17/h5-13,20H,4,14H2,1-3H3,(H,24,25,26)
InChIKey SZSNVMXCVUUMDX-UHFFFAOYSA-N
Molecular Weight 436.530 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SCc1ccccc1)c1ccc(cc1)OC)C(=O)OCC)C
SPLASH splash10-000i-0114900000-3ad9ba3e1c2470edeafe
Source of Spectrum Y-46-144-5g
Wiley ID 1666712