| SpectraBase Spectrum ID |
5fmUEy5mlM6 |
| Name |
6-Benzyl-2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.035396385 u |
| Formula |
C22H18BrN3OS |
| InChI |
InChI=1S/C22H18BrN3OS/c23-17-6-7-20(27)16(10-17)12-25-22-19(11-24)18-8-9-26(14-21(18)28-22)13-15-4-2-1-3-5-15/h1-7,10,12,27H,8-9,13-14H2/b25-12+ |
| InChIKey |
MVOXVPMYOSWABT-BRJLIKDPSA-N |
| Molecular Weight |
452.370 g/mol |
| SMILES |
OC1=C(\C=N\C2=C(C3=C(CN(CC3)CC3=CC=CC=C3)S2)C#N)C=C(C=C1)Br |
![6-benzyl-2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile](/api/spectrum/5fmUEy5mlM6/structure.png?h=300&w=458 "6-benzyl-2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile")
