![7-(benzylsulfanyl)-3-tert-butyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one](/api/spectrum/sSl6mE04eP/structure.png?h=300&w=458 "7-(benzylsulfanyl)-3-tert-butyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one")
| SpectraBase Compound ID | CxYVj2TfjIG |
|---|---|
| InChI | InChI=1S/C15H16N4OS2/c1-15(2,3)11-12(20)19-13(17-16-11)22-14(18-19)21-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | OTYZZYLPEVZRBL-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C15H16N4OS2 |
| Exact Mass | 332.076553 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | sSl6mE04eP |
|---|---|
| Name | 7-Benzylsulfanyl-3-tert-butyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H16N4OS2 |
| InChI | InChI=1S/C15H16N4OS2/c1-15(2,3)11-12(20)19-13(17-16-11)22-14(18-19)21-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | OTYZZYLPEVZRBL-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | c1ccc(CSC2=NN3C(S2)=NN=C(C3=O)C(C)(C)C)cc1 |
| SPLASH | splash10-0006-9300000000-20019c040b9b38652b69 |
| Synonyms | 3-tert-Butyl-7-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 3-tert-Butyl-7-(phenylmethylthio)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 7-(Benzylsulfanyl)-3-tert-butyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 7-(benzylthio)-3-tert-butyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Wiley ID | 1463274 |