| SpectraBase Spectrum ID |
75snuOBzKwy |
| Name |
4-({[4-allyl-5-(4-chlorophenyl)-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 |
366.070595373 u |
| Formula |
C19H15ClN4S |
| InChI |
InChI=1S/C19H15ClN4S/c1-2-11-24-18(16-7-9-17(20)10-8-16)22-23-19(24)25-13-15-5-3-14(12-21)4-6-15/h2-10H,1,11,13H2 |
| InChIKey |
GSHUJVIFHVMUPC-UHFFFAOYSA-N |
| Molecular Weight |
366.870 g/mol |
| SMILES |
C1=CC(C#N)=CC=C1CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)CC=C |
![4-({[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile](/api/spectrum/75snuOBzKwy/structure.png?h=300&w=458 "4-({[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile")
