| SpectraBase Compound ID | LvOVzhZnKk6 |
|---|---|
| InChI | InChI=1S/C22H21N5O4S3/c1-2-31-17(28)12-16-13-33-21(24-16)25-20(30)18(14-6-4-3-5-7-14)34-22(32)27-26-19(29)15-8-10-23-11-9-15/h3-11,13,18H,2,12H2,1H3,(H,26,29)(H,27,32)(H,24,25,30) |
| InChIKey | QEWJGPPEDWRDHY-UHFFFAOYSA-N |
| Mol Weight | 515.62 g/mol |
| Molecular Formula | C22H21N5O4S3 |
| Exact Mass | 515.075568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vTfcwu8jV8 |
|---|---|
| Name | Ethyl 2-(2-(2-(2-isonicotinoylhydrazinecarbonothioylthio)-2-phenylacetamido)thiazol-4-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 515.075567694 u |
| Formula | C22H21N5O4S3 |
| InChI | InChI=1S/C22H21N5O4S3/c1-2-31-17(28)12-16-13-33-21(24-16)25-20(30)18(14-6-4-3-5-7-14)34-22(32)27-26-19(29)15-8-10-23-11-9-15/h3-11,13,18H,2,12H2,1H3,(H,26,29)(H,27,32)(H,24,25,30) |
| InChIKey | QEWJGPPEDWRDHY-UHFFFAOYSA-N |
| Molecular Weight | 515.621 g/mol |
| SMILES | C1=C(N=C(NC(C(C2=CC=CC=C2)SC(NNC(=O)C2=CC=NC=C2)=S)=O)S1)CC(=O)OCC |