| SpectraBase Spectrum ID |
6Zh2czWZQ9b |
| Name |
1H-Cyclohepta[b]pyridine-3-carbonitrile, 4-[1,2-dihydro-1-(1-methylethyl)-2-thioxo-3-pyridinyl]-2,3,4,5,6,7,8, 9-octahydro-2-oxo-, trans- |
| CAS Registry Number |
89818-15-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H23N3OS |
| InChI |
InChI=1S/C19H23N3OS/c1-12(2)22-10-6-8-14(19(22)24)17-13-7-4-3-5-9-16(13)21-18(23)15(17)11-20/h6,8,10,12,15,17H,3-5,7,9H2,1-2H3,(H,21,23)/t15-,17-/m1/s1 |
| InChIKey |
VZFNPGWAVAAVHV-NVXWUHKLSA-N |
| Molecular Weight |
341.473 g/mol |
| SMILES |
N1C([C@@]([C@](C2=C1CCCCC2)(C=1C(N(C(C)C)C=CC1)=S)[H])(C#N)[H])=O |
| SPLASH |
splash10-0002-0093000000-844422a787b905f84ba3 |
| Source of Spectrum |
Y-20-1655-0 |
| Synonyms |
(3S,4R)-4-(1-isopropyl-2-thioxo-1,2-dihydro-3-pyridinyl)-2-oxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
3-Cyano-4-(1-isopropyl-2(1H)-thiopyrid-3-yl)-5,6-pentamethylene-3,4-dihydro-2(1H)-pyridone |
| Wiley ID |
1335934 |
![1H-Cyclohepta[b]pyridine-3-carbonitrile, 4-[1,2-dihydro-1-(1-methylethyl)-2-thioxo-3-pyridinyl]-2,3,4,5,6,7,8, 9-octahydro-2-oxo-, trans-](/api/spectrum/6Zh2czWZQ9b/structure.png?h=300&w=458 "1H-Cyclohepta[b]pyridine-3-carbonitrile, 4-[1,2-dihydro-1-(1-methylethyl)-2-thioxo-3-pyridinyl]-2,3,4,5,6,7,8, 9-octahydro-2-oxo-, trans-")
