| SpectraBase Spectrum ID |
K5xNowwlTOD |
| Name |
4-({[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.125217770 u |
| Formula |
C20H18N4S |
| InChI |
InChI=1S/C20H18N4S/c1-3-12-24-19(18-10-4-15(2)5-11-18)22-23-20(24)25-14-17-8-6-16(13-21)7-9-17/h3-11H,1,12,14H2,2H3 |
| InChIKey |
AIBBGJJMTONBBB-UHFFFAOYSA-N |
| Molecular Weight |
346.452 g/mol |
| SMILES |
CC=1C=CC(C=2N(C(=NN2)SCC2=CC=C(C#N)C=C2)CC=C)=CC1 |
![4-({[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile](/api/spectrum/K5xNowwlTOD/structure.png?h=300&w=458 "4-({[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile")
