![4-ethyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole](/api/spectrum/DCMq1yclijK/structure.png?h=300&w=458 "4-ethyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole")
| SpectraBase Compound ID | ESxiu3GZuOB |
|---|---|
| InChI | InChI=1S/C18H19N3S/c1-3-21-17(16-7-5-4-6-8-16)19-20-18(21)22-13-15-11-9-14(2)10-12-15/h4-12H,3,13H2,1-2H3 |
| InChIKey | DSWZKQYTMFGYJW-UHFFFAOYSA-N |
| Mol Weight | 309.43 g/mol |
| Molecular Formula | C18H19N3S |
| Exact Mass | 309.129969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCMq1yclijK |
|---|---|
| Name | 4-Ethyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.129968798 u |
| Formula | C18H19N3S |
| InChI | InChI=1S/C18H19N3S/c1-3-21-17(16-7-5-4-6-8-16)19-20-18(21)22-13-15-11-9-14(2)10-12-15/h4-12H,3,13H2,1-2H3 |
| InChIKey | DSWZKQYTMFGYJW-UHFFFAOYSA-N |
| Molecular Weight | 309.431 g/mol |
| SMILES | C=1C=CC(C=2N(C(=NN2)SCC2=CC=C(C=C2)C)CC)=CC1 |