![4-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol](/api/spectrum/7imzTSxPDWa/structure.png?h=300&w=458 "4-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol")
| SpectraBase Compound ID | DTWpySuo2OS |
|---|---|
| InChI | InChI=1S/C15H11ClN4OS/c16-12-3-1-2-11(8-12)14-18-19-15(22)20(14)17-9-10-4-6-13(21)7-5-10/h1-9,21H,(H,19,22)/b17-9+ |
| InChIKey | XQJBLYPDKXSZCE-RQZCQDPDSA-N |
| Mol Weight | 330.79 g/mol |
| Molecular Formula | C15H11ClN4OS |
| Exact Mass | 330.03421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7imzTSxPDWa |
|---|---|
| Name | 4-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.034209863 u |
| Formula | C15H11ClN4OS |
| InChI | InChI=1S/C15H11ClN4OS/c16-12-3-1-2-11(8-12)14-18-19-15(22)20(14)17-9-10-4-6-13(21)7-5-10/h1-9,21H,(H,19,22)/b17-9+ |
| InChIKey | XQJBLYPDKXSZCE-RQZCQDPDSA-N |
| SMILES | SC1=NN=C(N1\N=C\C=1C=CC(=CC1)O)C1=CC(Cl)=CC=C1 |