![2-(Ethoxycarbonyl)-3-phenyl-4-cyano-(1,2,4)-triazolo[2,3-a]pyridin-7-thione](/api/spectrum/JkaakV2ILs1/structure.png?h=300&w=458 "2-(Ethoxycarbonyl)-3-phenyl-4-cyano-(1,2,4)-triazolo[2,3-a]pyridin-7-thione")
| SpectraBase Compound ID | 5xY9rKJ287M |
|---|---|
| InChI | InChI=1S/C16H12N4O3S/c1-2-23-15(22)12-11(9-6-4-3-5-7-9)10(8-17)13-18-16(24)19-20(13)14(12)21/h3-7H,2H2,1H3,(H2,18,19,24) |
| InChIKey | GVUFMZLOZZDZAY-UHFFFAOYSA-N |
| Mol Weight | 340.36 g/mol |
| Molecular Formula | C16H12N4O3S |
| Exact Mass | 340.063011 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JkaakV2ILs1 |
|---|---|
| Name | 2-(Ethoxycarbonyl)-3-phenyl-4-cyano-(1,2,4)-triazolo[2,3-a]pyridin-7-thione |
| Alternate Name(s) | 8-Cyano-5-oxo-7-phenyl-2-thioxo-1,2,3,5-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid ethyl ester 8-cyano-5-oxo-7-phenyl-2-sulfanylidene-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid ethyl ester Ethyl 8-cyano-5-oxo-7-phenyl-2-sulfanylidene-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate Ethyl 8-cyano-5-oxo-7-phenyl-2-thioxo-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate Ethyl 8-cyano-5-oxidanylidene-7-phenyl-2-sulfanylidene-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12N4O3S |
| InChI | InChI=1S/C16H12N4O3S/c1-2-23-15(22)12-11(9-6-4-3-5-7-9)10(8-17)13-18-16(24)19-20(13)14(12)21/h3-7H,2H2,1H3,(H2,18,19,24) |
| InChIKey | GVUFMZLOZZDZAY-UHFFFAOYSA-N |
| Molecular Weight | 340.357 g/mol |
| SMILES | N1C(NC=2N1C(=O)C(=C(C2C#N)c1ccccc1)C(=O)OCC)=S |
| SPLASH | splash10-0v03-3912000000-28fbbeeb9547c6b3fc3f |
| Source of Spectrum | SK-28-3341-12 |
| Wiley ID | 868584 |