| SpectraBase Spectrum ID |
630Aisyrkel |
| Name |
1H-Cyclohepta[b]pyridine-3-carbonitrile, 4-(1,2-dihydro-1-phenyl-2-thioxo-3-pyridinyl)-2,3,4,5,6,7,8,9-octahydro-2-oxo-, trans- |
| CAS Registry Number |
89818-13-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21N3OS |
| InChI |
InChI=1S/C22H21N3OS/c23-14-18-20(16-10-5-2-6-12-19(16)24-21(18)26)17-11-7-13-25(22(17)27)15-8-3-1-4-9-15/h1,3-4,7-9,11,13,18,20H,2,5-6,10,12H2,(H,24,26)/t18-,20-/m1/s1 |
| InChIKey |
MWLIOBMOLQQZQF-UYAOXDASSA-N |
| Molecular Weight |
375.490 g/mol |
| SMILES |
N1C([C@@]([C@](C2=C1CCCCC2)(C=1C(N(c2ccccc2)C=CC1)=S)[H])(C#N)[H])=O |
| SPLASH |
splash10-0fbc-0039000000-d881952338963ef949bd |
| Source of Spectrum |
Y-20-1654-0 |
| Synonyms |
(3S,4R)-2-oxo-4-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
3-Cyano-4-(1-phenyl-2(1H)-thiopyrid-3-yl)-5,6-pentamethylene-3,4-dihydro-2(1H)-pyridone |
| Wiley ID |
1357250 |
![1H-Cyclohepta[b]pyridine-3-carbonitrile, 4-(1,2-dihydro-1-phenyl-2-thioxo-3-pyridinyl)-2,3,4,5,6,7,8,9-octahydro-2-oxo-, trans-](/api/spectrum/630Aisyrkel/structure.png?h=300&w=458 "1H-Cyclohepta[b]pyridine-3-carbonitrile, 4-(1,2-dihydro-1-phenyl-2-thioxo-3-pyridinyl)-2,3,4,5,6,7,8,9-octahydro-2-oxo-, trans-")
