![2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one](/api/spectrum/CvK92prAMsA/structure.png?h=300&w=458 "2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one")
| SpectraBase Compound ID | KLj3N15atoI |
|---|---|
| InChI | InChI=1S/C12H16N4O2S2/c17-9-4-3-7-16-11(13-9)20-12(14-16)19-8-10(18)15-5-1-2-6-15/h1-8H2 |
| InChIKey | HACZDUSBTLQZHU-UHFFFAOYSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C12H16N4O2S2 |
| Exact Mass | 312.071468 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CvK92prAMsA |
|---|---|
| Name | 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16N4O2S2 |
| InChI | InChI=1S/C12H16N4O2S2/c17-9-4-3-7-16-11(13-9)20-12(14-16)19-8-10(18)15-5-1-2-6-15/h1-8H2 |
| InChIKey | HACZDUSBTLQZHU-UHFFFAOYSA-N |
| Molecular Weight | 312.406 g/mol |
| SMILES | C12=NC(=O)CCCN2N=C(S1)SCC(N1CCCC1)=O |
| SPLASH | splash10-03di-9310000000-95648c16f9f3425c3675 |
| Synonyms | 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one 2-[(2-keto-2-pyrrolidino-ethyl)thio]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one 4H-1-Thia-3,3a,8-triazaazulen-7-one, 2-(2-oxo-2-pyrrolidin-1-ylethylsulfanyl)-5,6-dihydro- |
| Wiley ID | 1446637 |