For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Ethyl 7-hydroxy-7-chloromethyl-5-(4-chloro phenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 7-hydroxy-7-chloromethyl-5-(4-chloro phenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 2HJhwWsPxS6
InChI InChI=1S/C22H22Cl2N4O3S/c1-2-31-19(29)17-18(15-8-10-16(24)11-9-15)25-20-26-21(27-28(20)22(17,30)13-23)32-12-14-6-4-3-5-7-14/h3-11,17-18,30H,2,12-13H2,1H3,(H,25,26,27)
InChIKey MQUJPBGDTSFHSX-UHFFFAOYSA-N
Mol Weight 493.41 g/mol
Molecular Formula C22H22Cl2N4O3S
Exact Mass 492.078967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8REdy2EutAH
Name Ethyl 7-hydroxy-7-chloromethyl-5-(4-chloro phenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22Cl2N4O3S
InChI InChI=1S/C22H22Cl2N4O3S/c1-2-31-19(29)17-18(15-8-10-16(24)11-9-15)25-20-26-21(27-28(20)22(17,30)13-23)32-12-14-6-4-3-5-7-14/h3-11,17-18,30H,2,12-13H2,1H3,(H,25,26,27)
InChIKey MQUJPBGDTSFHSX-UHFFFAOYSA-N
Molecular Weight 493.409 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCc1ccccc1)(O)CCl)C(=O)OCC)c1ccc(cc1)Cl
SPLASH splash10-052r-0592000000-aa1de18237d89a67907b
Source of Spectrum Y-46-147-6n
Synonyms 7-(chloromethyl)-5-(4-chlorophenyl)-7-hydroxy-2-(phenylmethylthio)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-7-(chloromethyl)-5-(4-chlorophenyl)-7-hydroxy-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 7-(chloromethyl)-5-(4-chlorophenyl)-7-oxidanyl-2-(phenylmethylsulfanyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666691