SpectraBase Spectrum ID |
4BTPhNgxmoP |
Name |
trans-7-p-Chlorophenyl-4-oxo-3-phenyl-7,8-dihydro-6H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-8-carboxylic acid ethyl ester |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H17ClN4O3S |
InChI |
InChI=1S/C20H17ClN4O3S/c1-2-28-19(27)17-15(13-8-10-14(21)11-9-13)24-25-18(26)16(22-23-20(25)29-17)12-6-4-3-5-7-12/h3-11,15,17,24H,2H2,1H3/t15-,17+/m1/s1 |
InChIKey |
HBZJCQXWRFDYFA-WBVHZDCISA-N |
Molecular Weight |
428.894 g/mol |
SMILES |
N1[C@@]([C@](SC=2N1C(C(=NN2)c1ccccc1)=O)(C(=O)OCC)[H])(c1ccc(cc1)Cl)[H] |
SPLASH |
splash10-004i-0000900000-71ae0dbc7f3a17bd7e0f |
Source of Spectrum |
F-67-6268-8k |
Wiley ID |
1687565 |