| SpectraBase Compound ID | DeP47VEEpCJ |
|---|---|
| InChI | InChI=1S/C19H15N3OS/c1-2-9-22-19-15(11-20)16(21)18(24-19)17(23)14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10,22H,1,9,21H2 |
| InChIKey | YLTZMEVPMYYRCW-UHFFFAOYSA-N |
| Mol Weight | 333.41 g/mol |
| Molecular Formula | C19H15N3OS |
| Exact Mass | 333.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3heCPQrXmVn |
|---|---|
| Name | 2-(Allylamino)-4-amino-5-(2-naphthoyl)-3-thiophenecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.093583288 u |
| Formula | C19H15N3OS |
| InChI | InChI=1S/C19H15N3OS/c1-2-9-22-19-15(11-20)16(21)18(24-19)17(23)14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10,22H,1,9,21H2 |
| InChIKey | YLTZMEVPMYYRCW-UHFFFAOYSA-N |
| SMILES | NC=1C(=C(SC1C(C=1C=CC=2C=CC=CC2C1)=O)NCC=C)C#N |