| SpectraBase Spectrum ID |
BaH1XYGgPsL |
| Name |
3-Cyanomethylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro isoquinoline-4-carbonitrile |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17N5S |
| InChI |
InChI=1S/C17H17N5S/c1-11-9-12(2)22(21-11)16-14-6-4-3-5-13(14)15(10-19)17(20-16)23-8-7-18/h9H,3-6,8H2,1-2H3 |
| InChIKey |
FSSMISLLWMAKDG-UHFFFAOYSA-N |
| Molecular Weight |
323.418 g/mol |
| SMILES |
c1(-[n]2nc(C)cc2C)nc(SCC#N)c(c2c1CCCC2)C#N |
| SPLASH |
splash10-00e9-0069000000-f05f172dedf31fc76f3d |
| Source of Spectrum |
F2-46-576-18a |
| Synonyms |
3-(cyanomethylthio)-1-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-(cyanomethylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Wiley ID |
1690124 |
