| SpectraBase Compound ID | ESabSV9xwzG |
|---|---|
| InChI | InChI=1S/C18H17ClN4S/c1-22(2)17-16(13-6-4-3-5-7-13)12-23(21-17)18(24)20-15-10-8-14(19)9-11-15/h3-12H,1-2H3,(H,20,24) |
| InChIKey | AWUQWKDGAPUCHB-UHFFFAOYSA-N |
| Mol Weight | 356.88 g/mol |
| Molecular Formula | C18H17ClN4S |
| Exact Mass | 356.086245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQpG05Ke6D8 |
|---|---|
| Name | 4'-Chloro-3-(dimethylamino)-4-phenylthiopyrazole-1-carboxanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.086245437 u |
| Formula | C18H17ClN4S |
| InChI | InChI=1S/C18H17ClN4S/c1-22(2)17-16(13-6-4-3-5-7-13)12-23(21-17)18(24)20-15-10-8-14(19)9-11-15/h3-12H,1-2H3,(H,20,24) |
| InChIKey | AWUQWKDGAPUCHB-UHFFFAOYSA-N |
| SMILES | CN(C=1C(=CN(N1)C(=S)NC1=CC=C(C=C1)Cl)C1=CC=CC=C1)C |