| SpectraBase Spectrum ID |
CjVxsVzYY23 |
| Name |
2-Butanone, 1-[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.101561149 u |
| Formula |
C20H20ClN3OS |
| InChI |
InChI=1S/C20H20ClN3OS/c1-20(2,3)17(25)13-26-19-23-22-18(14-9-11-15(21)12-10-14)24(19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3 |
| InChIKey |
PZTDTCOHGYGCOJ-UHFFFAOYSA-N |
| Molecular Weight |
385.913 g/mol |
| SMILES |
C1=CC=C(N2C(=NN=C2SCC(C(C)(C)C)=O)C2=CC=C(C=C2)Cl)C=C1 |
![2-butanone, 1-[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-](/api/spectrum/CjVxsVzYY23/structure.png?h=300&w=458 "2-butanone, 1-[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-")
