3-{[1-(4-Hydroxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]thio}indan-1-one
4052
Reference
3-{[1-(4-Hydroxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]thio}indan-1-one Structure
Systematic / IUPAC Name: 2-{[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1-indanone
ID: Reference4052
Other Names: 1H-Inden-1-one, 2,3-dihydro-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio}-
Formula: C16H12N4O2S
Spectral Data
3-{[1-(4-Hydroxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]thio}indan-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 229 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/3/2016 10:38:27 AM |
Identificators
| InChI | InChI=1S/C16H12N4O2S/c21-12-7-5-11(6-8-12)20-16(17-18-19-20)23-14-9-10-3-1-2-4-13(10)15(14)22/h1-8,14,21H,9H2 |
| InChI Key | QXMFOJSNAFAKPN-UHFFFAOYSA-N |
| Canonical SMILES | C1C(C(=O)C2=CC=CC=C21)SC3=NN=NN3C4=CC=C(C=C4)O |
| CAS | |
| Splash | |
| Other Names | 1H-Inden-1-one, 2,3-dihydro-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio}- |
In Other Databases
| PubChem | 2809869 |
| ChEMBL | CHEMBL1458715 |
| ChemSpider | 2088290 |