| SpectraBase Spectrum ID |
Kw8tABC9dQI |
| Name |
4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.073576117 u |
| Formula |
C16H14N4O4S |
| InChI |
InChI=1S/C16H14N4O4S/c1-21-12-7(3-10-13(14(12)22-2)24-6-23-10)11-8(4-17)15(19)25-16(20)9(11)5-18/h3,11H,6,19-20H2,1-2H3 |
| InChIKey |
SKFLQPGMCUBZLK-UHFFFAOYSA-N |
| SMILES |
NC=1SC(=C(C(C1C#N)C=1C=C2C(=C(C1OC)OC)OCO2)C#N)N |
