| SpectraBase Compound ID | 1VUgXcMPRb |
|---|---|
| InChI | InChI=1S/C17H17N3S/c21-17-19-18-16(12-11-14-7-3-1-4-8-14)20(17)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21) |
| InChIKey | LFXOIUDSACXIBV-UHFFFAOYSA-N |
| Mol Weight | 295.4 g/mol |
| Molecular Formula | C17H17N3S |
| Exact Mass | 295.114319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lgUtV64jWS |
|---|---|
| Name | 4H-1,2,4-Triazole-3-thiol, 5-(2-phenylethyl)-4-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.114318733 u |
| Formula | C17H17N3S |
| InChI | InChI=1S/C17H17N3S/c21-17-19-18-16(12-11-14-7-3-1-4-8-14)20(17)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21) |
| InChIKey | LFXOIUDSACXIBV-UHFFFAOYSA-N |
| Molecular Weight | 295.404 g/mol |
| SMILES | SC=1N(C(=NN1)CCC1=CC=CC=C1)CC=1C=CC=CC1 |