SpectraBase Spectrum ID |
EmCoxrxerMf |
Name |
4-(4-Allyloxy-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H23N3O2S |
InChI |
InChI=1S/C27H23N3O2S/c1-2-17-32-22-15-13-20(14-16-22)26-24-25(19-9-5-3-6-10-19)29-30(21-11-7-4-8-12-21)27(24)28-23(31)18-33-26/h2-16,26H,1,17-18H2,(H,28,31) |
InChIKey |
RPOYVPBNPSUACF-UHFFFAOYSA-N |
Molecular Weight |
453.560 g/mol |
SMILES |
N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1ccc(cc1)OCC=C)=O |
SPLASH |
splash10-0fk9-6449500000-6d5c0986cb645279a640 |
Synonyms |
4-[4-(allyloxy)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Wiley ID |
1442221 |