SpectraBase Compound ID | 33YuBcqQhfR |
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InChI | InChI=1S/C14H12N4S/c1-8-4-2-3-5-9(8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3 |
InChIKey | IOFODHFIISYXLF-UHFFFAOYSA-N |
Mol Weight | 268.34 g/mol |
Molecular Formula | C14H12N4S |
Exact Mass | 268.078268 g/mol |
SpectraBase Spectrum ID | 5GeOrJdY3Z1 |
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Name | 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(2-methylphenyl)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 268.078267576 u |
Formula | C14H12N4S |
InChI | InChI=1S/C14H12N4S/c1-8-4-2-3-5-9(8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3 |
InChIKey | IOFODHFIISYXLF-UHFFFAOYSA-N |
Molecular Weight | 268.338 g/mol |
SMILES | NC=1SC(=C(C(C1C#N)C1=C(C)C=CC=C1)C#N)N |