| SpectraBase Spectrum ID |
3yrAPfdBeIV |
| Name |
4-Methyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-[2-(3-pyridyl)-4-thiazolyl]-4H-1,2,4-triazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.033700453 u |
| Formula |
C18H11F3N6O2S2 |
| InChI |
InChI=1S/C18H11F3N6O2S2/c1-26-15(12-9-30-16(23-12)10-3-2-6-22-8-10)24-25-17(26)31-14-5-4-11(18(19,20)21)7-13(14)27(28)29/h2-9H,1H3 |
| InChIKey |
PTGAXMMQDOIODA-UHFFFAOYSA-N |
| Molecular Weight |
464.441 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C=CC1SC=1N(C(=NN1)C=1N=C(SC1)C=1C=CC=NC1)C)C(F)(F)F |
![4-methyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-[2-(3-pyridyl)-4-thiazolyl]-4H-1,2,4-triazole](/api/spectrum/3yrAPfdBeIV/structure.png?h=300&w=458 "4-methyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-[2-(3-pyridyl)-4-thiazolyl]-4H-1,2,4-triazole")
