| SpectraBase Spectrum ID |
2cyGYZdpKZp |
| Name |
1H-Isoindole-1,3(2H)-dione, 2-[4-chloro-3-[(tetrahydro-2H-thiopyran-3-yl)methoxy]phenyl]-4,5,6,7-tetrahydro-; 2H-thiopyran, 1H-isoindole-1,3(2H)-dione derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.100892443 u |
| Formula |
C20H22ClNO3S |
| InChI |
InChI=1S/C20H22ClNO3S/c21-17-8-7-14(10-18(17)25-11-13-4-3-9-26-12-13)22-19(23)15-5-1-2-6-16(15)20(22)24/h7-8,10,13H,1-6,9,11-12H2 |
| InChIKey |
YNRGKAXLYFSGHZ-UHFFFAOYSA-N |
| Molecular Weight |
391.913 g/mol |
| SMILES |
C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)OCC1CCCSC1)Cl)=O |
![1H-Isoindole-1,3(2H)-dione, 2-[4-chloro-3-[(tetrahydro-2H-thiopyran-3-yl)methoxy]phenyl]-4,5,6,7-tetrahydro-; 2H-thiopyran, 1H-isoindole-1,3(2H)-dione derivative](/api/spectrum/2cyGYZdpKZp/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, 2-[4-chloro-3-[(tetrahydro-2H-thiopyran-3-yl)methoxy]phenyl]-4,5,6,7-tetrahydro-; 2H-thiopyran, 1H-isoindole-1,3(2H)-dione derivative")
