![2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide](/api/spectrum/1TzW0vQab5o/structure.png?h=300&w=458 "2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide")
| SpectraBase Compound ID | 7CgLdbrYRCN |
|---|---|
| InChI | InChI=1S/C14H18N4O2S/c1-3-18-13(16-17-14(18)21-9-12(15)19)8-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,19) |
| InChIKey | SBKWIBNXBPXMTP-UHFFFAOYSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C14H18N4O2S |
| Exact Mass | 306.115047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TzW0vQab5o |
|---|---|
| Name | 2-({4-Ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.115047008 u |
| Formula | C14H18N4O2S |
| InChI | InChI=1S/C14H18N4O2S/c1-3-18-13(16-17-14(18)21-9-12(15)19)8-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,19) |
| InChIKey | SBKWIBNXBPXMTP-UHFFFAOYSA-N |
| SMILES | NC(CSC=1N(C(=NN1)COC=1C=CC(=CC1)C)CC)=O |