| SpectraBase Compound ID | CjFl5GnE3lM |
|---|---|
| InChI | InChI=1S/C20H20N2OS/c1-13-7-9-15(10-8-13)19(23)12-24-20-18(11-21)17-6-4-3-5-16(17)14(2)22-20/h7-10H,3-6,12H2,1-2H3 |
| InChIKey | ALTSSFUTGSQBLL-UHFFFAOYSA-N |
| Mol Weight | 336.45 g/mol |
| Molecular Formula | C20H20N2OS |
| Exact Mass | 336.129634 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DQgtyWIZ7WK |
|---|---|
| Name | 1-Methyl-3-(4-methylphenacylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| CAS Registry Number | 329726-34-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20N2OS |
| InChI | InChI=1S/C20H20N2OS/c1-13-7-9-15(10-8-13)19(23)12-24-20-18(11-21)17-6-4-3-5-16(17)14(2)22-20/h7-10H,3-6,12H2,1-2H3 |
| InChIKey | ALTSSFUTGSQBLL-UHFFFAOYSA-N |
| Molecular Weight | 336.453 g/mol |
| SMILES | C1CCc2c(C1)c(nc(c2C#N)SCC(=O)c1ccc(cc1)C)C |
| SPLASH | splash10-014i-8910000000-8758f7efbea2def6b9ff |
| Synonyms | 1-Methyl-3-([2-(4-methylphenyl)-2-oxoethyl]sulfanyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile 1-Methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-Methyl-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-Methyl-3-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-Methyl-3-[[2-(4-methylphenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[[2-keto-2-(p-tolyl)ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Wiley ID | 1468365 |