| SpectraBase Spectrum ID |
7bhsrp1m3UK |
| Name |
3-Pyridinecarbonitrile, 4-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)methyl]thio]-6-phenyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.140199128 u |
| Formula |
C27H22N2O2S |
| InChI |
InChI=1S/C27H22N2O2S/c1-30-22-13-11-20(12-14-22)24-16-26(21-8-4-3-5-9-21)29-27(25(24)17-28)32-18-19-7-6-10-23(15-19)31-2/h3-16H,18H2,1-2H3 |
| InChIKey |
ICSGVPNUUAUASG-UHFFFAOYSA-N |
| Molecular Weight |
438.545 g/mol |
| SMILES |
C1(=C(N=C(C=C1C1=CC=C(C=C1)OC)C=1C=CC=CC1)SCC1=CC(OC)=CC=C1)C#N |
![3-Pyridinecarbonitrile, 4-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)methyl]thio]-6-phenyl-](/api/spectrum/7bhsrp1m3UK/structure.png?h=300&w=458 "3-Pyridinecarbonitrile, 4-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)methyl]thio]-6-phenyl-")
