![N-(3-allyl-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline](/api/spectrum/LwYvcBQpCHQ/structure.png?h=300&w=458 "N-(3-allyl-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline")
| SpectraBase Compound ID | 9hnfrIMr6l8 |
|---|---|
| InChI | InChI=1S/C25H24FN5S/c1-2-15-30-22(18-7-11-20(26)12-8-18)17-32-25(30)27-21-13-9-19(10-14-21)24-29-28-23-6-4-3-5-16-31(23)24/h2,7-14,17H,1,3-6,15-16H2/b27-25+ |
| InChIKey | KUYPYENQWNZOFJ-IMVLJIQESA-N |
| Mol Weight | 445.56 g/mol |
| Molecular Formula | C25H24FN5S |
| Exact Mass | 445.173645 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LwYvcBQpCHQ |
|---|---|
| Name | N-(3-allyl-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H24FN5S |
| InChI | InChI=1S/C25H24FN5S/c1-2-15-30-22(18-7-11-20(26)12-8-18)17-32-25(30)27-21-13-9-19(10-14-21)24-29-28-23-6-4-3-5-16-31(23)24/h2,7-14,17H,1,3-6,15-16H2/b27-25+ |
| InChIKey | KUYPYENQWNZOFJ-IMVLJIQESA-N |
| Molecular Weight | 445.560 g/mol |
| SMILES | C=1(N(\C(SC1)=N/c1ccc(-c2[n]3c(CCCCC3)nn2)cc1)CC=C)c1ccc(cc1)F |
| SPLASH | splash10-0udi-3980300000-e15e8e05a3a9eaa16d31 |
| Synonyms | N-((2E)-3-allyl-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline N-((2E)-3-allyl-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]amine N-(3-allyl-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]amine [3-allyl-4-(4-fluoro-phenyl)-3H-thiazol-2-ylidene]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenyl]-amine |
| Wiley ID | 1464604 |