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Ethyl 7-(4-methylphenyl)-2-benzylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID HNy2cnsZy1Z
InChI InChI=1S/C23H24N4O2S/c1-4-29-21(28)19-16(3)24-22-25-23(30-14-17-8-6-5-7-9-17)26-27(22)20(19)18-12-10-15(2)11-13-18/h5-13,20H,4,14H2,1-3H3,(H,24,25,26)
InChIKey FSMIVEUXRDPLCR-UHFFFAOYSA-N
Mol Weight 420.53 g/mol
Molecular Formula C23H24N4O2S
Exact Mass 420.161997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBfaYQufsFI
Name Ethyl 7-(4-methylphenyl)-2-benzylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Alternate Name(s) 5-Methyl-7-(4-methylphenyl)-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-5-methyl-7-(4-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 2-benzylsulfanyl-5-methyl-7-(p-tolyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 5-methyl-7-(4-methylphenyl)-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
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Formula C23H24N4O2S
InChI InChI=1S/C23H24N4O2S/c1-4-29-21(28)19-16(3)24-22-25-23(30-14-17-8-6-5-7-9-17)26-27(22)20(19)18-12-10-15(2)11-13-18/h5-13,20H,4,14H2,1-3H3,(H,24,25,26)
InChIKey FSMIVEUXRDPLCR-UHFFFAOYSA-N
Molecular Weight 420.531 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SCc1ccccc1)c1ccc(cc1)C)C(=O)OCC)C
SPLASH splash10-00di-0569800000-4f1b3758ef53d00c76bc
Source of Spectrum Y-46-144-5f
Wiley ID 1666713