| SpectraBase Compound ID | 2ekHAu5fCOw |
|---|---|
| InChI | InChI=1S/C9H7N3OS/c13-8-7(11-12-9(14)10-8)6-4-2-1-3-5-6/h1-5H,(H2,10,12,13,14) |
| InChIKey | WAQGGKJKDGJEEA-UHFFFAOYSA-N |
| Mol Weight | 205.23 g/mol |
| Molecular Formula | C9H7N3OS |
| Exact Mass | 205.030983 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZNbXOD9U9 |
|---|---|
| Name | 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-6-phenyl-3-thioxo- |
| CAS Registry Number | 447-00-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7N3OS |
| InChI | InChI=1S/C9H7N3OS/c13-8-7(11-12-9(14)10-8)6-4-2-1-3-5-6/h1-5H,(H2,10,12,13,14) |
| InChIKey | WAQGGKJKDGJEEA-UHFFFAOYSA-N |
| Molecular Weight | 205.235 g/mol |
| SMILES | Sc1nnc(c(n1)O)-c1ccccc1 |
| SPLASH | splash10-0ap0-9310000000-061578081a76bc8c0d8e |
| Source of Spectrum | IY-2-4894-8 |
| Synonyms | 1,2,4-Triazin-5-ol, 3-mercapto-6-phenyl- 6-Phenyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one 6-Phenyl-3-sulfanyl-1,2,4-triazin-5-ol 3,4-Dihydro-6-phenyl-3-thioxo-1,2,4-triazin-5(2H)-one 3-Mercapto-6-phenyl-aS-triazin-5-ol 6-Phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one 6-Phenyl-3-thio-aS-triazine-3,5(2H,4H)-dione 6-Phenyl-3-thioxo-2H-1,2,4-triazin-5-one 6-Phenyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine AS-triazin-5-ol, 3-mercapto-6-phenyl- AS-triazine-3,5(2H,4H)-dione, 6-phenyl-3-thio- AI3-51974 |
| Wiley ID | 1656931 |