| SpectraBase Spectrum ID |
I5JjcUMFFpQ |
| Name |
4H-1,2,4-Triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.065175639 u |
| Formula |
C17H16ClN3O2S |
| InChI |
InChI=1S/C17H16ClN3O2S/c1-22-13-7-8-15(23-2)14(10-13)21-16(19-20-17(21)24)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,20,24) |
| InChIKey |
TYTPTWHKGWLFCB-UHFFFAOYSA-N |
| Molecular Weight |
361.847 g/mol |
| SMILES |
SC=1N(C(=NN1)CC1=CC=C(C=C1)Cl)C1=CC(OC)=CC=C1OC |
![4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)-](/api/spectrum/I5JjcUMFFpQ/structure.png?h=300&w=458 "4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)-")
