| SpectraBase Spectrum ID |
H0ShSPMJZRM |
| Name |
3-Pyridinecarboxamide, 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
589.022638800 u |
| Formula |
C29H21BrClN3O2S |
| InChI |
InChI=1S/C29H21BrClN3O2S/c1-17-7-3-6-10-24(17)34-28(36)26-18(2)33-29(37-16-25(35)19-11-13-20(30)14-12-19)22(15-32)27(26)21-8-4-5-9-23(21)31/h3-14H,16H2,1-2H3,(H,34,36) |
| InChIKey |
JUCNOARVLARPEG-UHFFFAOYSA-N |
| Molecular Weight |
590.923 g/mol |
| SMILES |
N(C(C1=C(C(C#N)=C(N=C1C)SCC(C1=CC=C(C=C1)Br)=O)C=1C(Cl)=CC=CC1)=O)C1=C(C)C=CC=C1 |
![3-pyridinecarboxamide, 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-](/api/spectrum/H0ShSPMJZRM/structure.png?h=300&w=458 "3-pyridinecarboxamide, 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-")
