| SpectraBase Spectrum ID |
12LWNG2HD6 |
| 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 |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
1666691 |
![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](/api/spectrum/12LWNG2HD6/structure.png?h=300&w=458 "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")
