| SpectraBase Spectrum ID |
CW4RzSJzdPa |
| Name |
3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-6-(2-thienyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.099118797 u |
| Formula |
C27H23ClN2S2 |
| InChI |
InChI=1S/C27H23ClN2S2/c1-27(2,3)20-10-6-18(7-11-20)17-32-26-23(16-29)22(19-8-12-21(28)13-9-19)15-24(30-26)25-5-4-14-31-25/h4-15H,17H2,1-3H3 |
| InChIKey |
NWOMGPSVEAFUIX-UHFFFAOYSA-N |
| Molecular Weight |
475.068 g/mol |
| SMILES |
C1(=C(N=C(C=C1C1=CC=C(C=C1)Cl)C=1SC=CC1)SCC1=CC=C(C(C)(C)C)C=C1)C#N |
![3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-6-(2-thienyl)-](/api/spectrum/CW4RzSJzdPa/structure.png?h=300&w=458 "3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-6-(2-thienyl)-")
