![3-(Methylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine](/api/spectrum/6OnfQKismVF/structure.png?h=300&w=458 "3-(Methylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine")
| SpectraBase Compound ID | GT8aRzPFOmd |
|---|---|
| InChI | InChI=1S/C15H12N4OS2/c1-21-15-17-14-12(18-19-15)9-5-2-3-6-10(9)16-13(20-14)11-7-4-8-22-11/h2-8,13,16H,1H3 |
| InChIKey | WHXODBDDPALIEP-UHFFFAOYSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C15H12N4OS2 |
| Exact Mass | 328.045253 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6OnfQKismVF |
|---|---|
| Name | 3-(Methylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| CAS Registry Number | 331002-61-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H12N4OS2 |
| InChI | InChI=1S/C15H12N4OS2/c1-21-15-17-14-12(18-19-15)9-5-2-3-6-10(9)16-13(20-14)11-7-4-8-22-11/h2-8,13,16H,1H3 |
| InChIKey | WHXODBDDPALIEP-UHFFFAOYSA-N |
| Molecular Weight | 328.408 g/mol |
| SMILES | N1c2c(-c3c(OC1c1cccs1)nc(nn3)SC)cccc2 |
| SPLASH | splash10-03di-4691000000-2aae888b0df51ff40aa6 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 3-(methylthio)-6-(2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine 3-(methylthio)-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine 3-Methylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Benzo[d][1,2,4]-triazino[6,5-f][1,3]-oxazepine, 6,7-dihydro-3-methylthio-6-(2-thienyl)- |
| Wiley ID | 1426407 |