![3-(4-Isopropyl-thiazol-2-yl)-5-methylsulfanyl-4-phenyl-4H-[1,2,4]triazole](/api/spectrum/FXVNwsDf2Qb/structure.png?h=300&w=458 "3-(4-Isopropyl-thiazol-2-yl)-5-methylsulfanyl-4-phenyl-4H-[1,2,4]triazole")
| SpectraBase Compound ID | CBYg5wlvXmu |
|---|---|
| InChI | InChI=1S/C15H16N4S2/c1-10(2)12-9-21-14(16-12)13-17-18-15(20-3)19(13)11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | HKLNZGHZPGURNH-UHFFFAOYSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C15H16N4S2 |
| Exact Mass | 316.081639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXVNwsDf2Qb |
|---|---|
| Name | 3-(4-Isopropyl-thiazol-2-yl)-5-methylsulfanyl-4-phenyl-4H-[1,2,4]triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.081638879 u |
| Formula | C15H16N4S2 |
| InChI | InChI=1S/C15H16N4S2/c1-10(2)12-9-21-14(16-12)13-17-18-15(20-3)19(13)11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | HKLNZGHZPGURNH-UHFFFAOYSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | C=1(N(C(SC)=NN1)C1=CC=CC=C1)C1=NC(C(C)C)=CS1 |