![3-[(o-chlorobenzyl)thio]-5-(5-chlorobenzo[b]thien-3-yl)-4-methyl-4H-1,2,4-triazole](/api/spectrum/DYaFfUMe2fq/structure.png?h=300&w=458 "3-[(o-chlorobenzyl)thio]-5-(5-chlorobenzo[b]thien-3-yl)-4-methyl-4H-1,2,4-triazole")
| SpectraBase Compound ID | I5R6sIdXNny |
|---|---|
| InChI | InChI=1S/C18H13Cl2N3S2/c1-23-17(14-10-24-16-7-6-12(19)8-13(14)16)21-22-18(23)25-9-11-4-2-3-5-15(11)20/h2-8,10H,9H2,1H3 |
| InChIKey | NAGZSZIFLIESKZ-UHFFFAOYSA-N |
| Mol Weight | 406.35 g/mol |
| Molecular Formula | C18H13Cl2N3S2 |
| Exact Mass | 404.992795 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYaFfUMe2fq |
|---|---|
| Name | 3-[(o-chlorobenzyl)thio]-5-(5-chlorobenzo[b]thien-3-yl)-4-methyl-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H13Cl2N3S2 |
| InChI | InChI=1S/C18H13Cl2N3S2/c1-23-17(14-10-24-16-7-6-12(19)8-13(14)16)21-22-18(23)25-9-11-4-2-3-5-15(11)20/h2-8,10H,9H2,1H3 |
| InChIKey | NAGZSZIFLIESKZ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 57374M |
| Solvent | CDCl3 |