| SpectraBase Spectrum ID |
3vtUhedWkZv |
| Name |
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.156183546 u |
| Formula |
C27H23N3OS |
| InChI |
InChI=1S/C27H23N3OS/c1-16-6-5-7-18(12-16)24-14-21(19-8-3-4-9-23(19)29-24)26(31)30-27-22(15-28)20-11-10-17(2)13-25(20)32-27/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,30,31) |
| InChIKey |
JYQLWEQFKRWXBZ-UHFFFAOYSA-N |
| Molecular Weight |
437.561 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)C)C#N)C(C=1C=C(C2=CC(C)=CC=C2)N=C2C1C=CC=C2)=O |
