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Ethyl 7-(4-chlorophenyl)-2-benzylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID IL5gqyqFZiG
InChI InChI=1S/C22H20Cl2N4O2S/c1-2-30-20(29)18-17(12-23)25-21-26-22(31-13-14-6-4-3-5-7-14)27-28(21)19(18)15-8-10-16(24)11-9-15/h3-11,19H,2,12-13H2,1H3,(H,25,26,27)
InChIKey LDHBUFNKXPVLAV-UHFFFAOYSA-N
Mol Weight 475.39 g/mol
Molecular Formula C22H20Cl2N4O2S
Exact Mass 474.068402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoyThsJAWiE
Name Ethyl 7-(4-chlorophenyl)-2-benzylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20Cl2N4O2S
InChI InChI=1S/C22H20Cl2N4O2S/c1-2-30-20(29)18-17(12-23)25-21-26-22(31-13-14-6-4-3-5-7-14)27-28(21)19(18)15-8-10-16(24)11-9-15/h3-11,19H,2,12-13H2,1H3,(H,25,26,27)
InChIKey LDHBUFNKXPVLAV-UHFFFAOYSA-N
Molecular Weight 475.394 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SCc1ccccc1)c1ccc(cc1)Cl)C(=O)OCC)CCl
SPLASH splash10-0096-3211900000-d325f8194123719db261
Source of Spectrum Y-46-146-5n
Synonyms 5-(chloromethyl)-7-(4-chlorophenyl)-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-5-(chloromethyl)-7-(4-chlorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 5-(chloromethyl)-7-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666705