| SpectraBase Compound ID | 8WpqAsnxFCE |
|---|---|
| InChI | InChI=1S/C20H16N8O3S/c21-10-18(20(29)24-12-5-7-13(8-6-12)32(22,30)31)26-28-19-9-17(25-27-19)15-11-23-16-4-2-1-3-14(15)16/h1-9,11,23H,(H,24,29)(H2,22,30,31)(H2,25,27,28) |
| InChIKey | WCESFAJQSNXRKH-UHFFFAOYSA-N |
| Mol Weight | 448.46 g/mol |
| Molecular Formula | C20H16N8O3S |
| Exact Mass | 448.106608 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5kjPh54WUok |
|---|---|
| Name | 2-(2-(5-(1H-indol-3-yl)-1H-pyrazol-3-yl)hydrazono)-3-(4-(aminosulfonyl)phenylamino)-3-oxopropanenitrile |
| Appearance | Reddish-violet power |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H16N8O3S |
| InChI | InChI=1S/C20H16N8O3S/c21-10-18(20(29)24-12-5-7-13(8-6-12)32(22,30)31)26-28-19-9-17(25-27-19)15-11-23-16-4-2-1-3-14(15)16/h1-9,11,23H,(H,24,29)(H2,22,30,31)(H2,25,27,28) |
| InChIKey | WCESFAJQSNXRKH-UHFFFAOYSA-N |
| Instrument Name | JEOL-JMS 600 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.2576 |
| Molecular Weight | 448.461 g/mol |
| SMILES | N(c1ccc(S(N)(=O)=O)cc1)C(C(=NNc1cc(-c2c3c(cccc3)[nH]c2)[nH]n1)C#N)=O |
| SPLASH | splash10-05bg-6900000000-980065d2199bc320729b |
| Source of Spectrum | Y-54-275-35 |
| Wiley ID | 1877806 |