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2-(Benzylthio)-7-(4-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 6SrjVi4aSXe
InChI InChI=1S/C29H29N5O2S/c1-4-20-14-16-22(17-15-20)26-25(27(35)31-23-12-8-9-13-24(23)36-3)19(2)30-28-32-29(33-34(26)28)37-18-21-10-6-5-7-11-21/h5-17,26H,4,18H2,1-3H3,(H,31,35)(H,30,32,33)
InChIKey APVDVLIZNRSDPM-UHFFFAOYSA-N
Mol Weight 511.64 g/mol
Molecular Formula C29H29N5O2S
Exact Mass 511.204196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzS1ykNEbY4
Name 2-(Benzylthio)-7-(4-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Alternate Name(s) 7-(4-Ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 2-Benzylsulfanyl-7-(4-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 7-(4-Ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
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Formula C29H29N5O2S
InChI InChI=1S/C29H29N5O2S/c1-4-20-14-16-22(17-15-20)26-25(27(35)31-23-12-8-9-13-24(23)36-3)19(2)30-28-32-29(33-34(26)28)37-18-21-10-6-5-7-11-21/h5-17,26H,4,18H2,1-3H3,(H,31,35)(H,30,32,33)
InChIKey APVDVLIZNRSDPM-UHFFFAOYSA-N
Molecular Weight 511.644 g/mol
SMILES N1c2[n](C(C(C(Nc3c(OC)cccc3)=O)=C1C)c1ccc(cc1)CC)nc(n2)SCc1ccccc1
SPLASH splash10-01ot-2904020000-dfc3a4c21b22acd5df57
Source of Spectrum F-67-9395-5d
Wiley ID 1691226