| SpectraBase Spectrum ID |
7eSrvDBGbsj |
| Name |
trans-10-Methyl-4-oxo-2-(phenylthio)-6,6a-dihydro-1H-pyrido[1,2-b]isoquinoline-7,7,8,8(4H,9H,11H,11aH)-tetracarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H19N5OS |
| InChI |
InChI=1S/C24H19N5OS/c1-16-10-23(12-25,13-26)24(14-27,15-28)21-11-29-17(8-20(16)21)7-19(9-22(29)30)31-18-5-3-2-4-6-18/h2-6,9,17,21H,7-8,10-11H2,1H3/t17-,21+/m1/s1 |
| InChIKey |
SIEMTNWUJLEWOK-UTKZUKDTSA-N |
| Molecular Weight |
425.510 g/mol |
| SMILES |
C1([C@@]2(C(C[C@@]3(N(C2)C(C=C(C3)Sc2ccccc2)=O)[H])=C(CC1(C#N)C#N)C)[H])(C#N)C#N |
| SPLASH |
splash10-004i-0000900000-07e7d70f35bc6df79947 |
| Source of Spectrum |
F-67-4510-11a |
| Wiley ID |
1686666 |
![trans-10-Methyl-4-oxo-2-(phenylthio)-6,6a-dihydro-1H-pyrido[1,2-b]isoquinoline-7,7,8,8(4H,9H,11H,11aH)-tetracarbonitrile](/api/spectrum/7eSrvDBGbsj/structure.png?h=300&w=458 "trans-10-Methyl-4-oxo-2-(phenylthio)-6,6a-dihydro-1H-pyrido[1,2-b]isoquinoline-7,7,8,8(4H,9H,11H,11aH)-tetracarbonitrile")
