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2-(Benzylthio)-7-(4-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID G0vkG6Ayc8b
InChI InChI=1S/C27H24BrN5O2S/c1-17-23(25(34)30-21-10-6-7-11-22(21)35-2)24(19-12-14-20(28)15-13-19)33-26(29-17)31-27(32-33)36-16-18-8-4-3-5-9-18/h3-15,24H,16H2,1-2H3,(H,30,34)(H,29,31,32)
InChIKey PSGMXDHYGMLUTA-UHFFFAOYSA-N
Mol Weight 562.49 g/mol
Molecular Formula C27H24BrN5O2S
Exact Mass 561.083409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFxONlfTOWB
Name 2-(Benzylthio)-7-(4-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Alternate Name(s) 7-(4-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 2-Benzylsulfanyl-7-(4-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 7-(4-bromophenyl)-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 C27H24BrN5O2S
InChI InChI=1S/C27H24BrN5O2S/c1-17-23(25(34)30-21-10-6-7-11-22(21)35-2)24(19-12-14-20(28)15-13-19)33-26(29-17)31-27(32-33)36-16-18-8-4-3-5-9-18/h3-15,24H,16H2,1-2H3,(H,30,34)(H,29,31,32)
InChIKey PSGMXDHYGMLUTA-UHFFFAOYSA-N
Molecular Weight 562.486 g/mol
SMILES N1c2[n](C(C(C(Nc3c(OC)cccc3)=O)=C1C)c1ccc(cc1)Br)nc(n2)SCc1ccccc1
SPLASH splash10-006x-9800100000-82494b8f4050a91097d7
Source of Spectrum F-67-9395-5e
Wiley ID 1691225