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Ethyl 5-(methylthio)-2-(p-methoxyphenyl)-2-phenyl-2,3-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SpectraBase Compound ID 5InwYPJR5ZV
InChI InChI=1S/C22H22N4O3S/c1-4-29-20(27)18-14-23-21(30-3)26-19(18)24-22(25-26,15-8-6-5-7-9-15)16-10-12-17(28-2)13-11-16/h5-14,25H,4H2,1-3H3
InChIKey QMBAOUYASMKOFO-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C22H22N4O3S
Exact Mass 422.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EL4f7ESuIxM
Name Ethyl 5-(methylthio)-2-(p-methoxyphenyl)-2-phenyl-2,3-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CAS Registry Number 78514-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4O3S
InChI InChI=1S/C22H22N4O3S/c1-4-29-20(27)18-14-23-21(30-3)26-19(18)24-22(25-26,15-8-6-5-7-9-15)16-10-12-17(28-2)13-11-16/h5-14,25H,4H2,1-3H3
InChIKey QMBAOUYASMKOFO-UHFFFAOYSA-N
Molecular Weight 422.503 g/mol
SMILES N1N2C(=NC1(c1ccc(cc1)OC)c1ccccc1)C(=CN=C2SC)C(=O)OCC
SPLASH splash10-01ot-0069300000-a2678a08377306b594cf
Source of Spectrum J-46-3959-0
Synonyms Ethyl 2-(4-methoxyphenyl)-5-(methylsulfanyl)-2-phenyl-2,3-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Wiley ID 1378535