1-(1-Benzothiophen-3-yl)-2-{[4-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl]sulfanyl}-1-ethanone
4668
Reference
1-(1-Benzothiophen-3-yl)-2-{[4-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl]sulfanyl}-1-ethanone Structure
Systematic / IUPAC Name: 5-{[2-(1-Benzothiophen-3-yl)-2-oxoethyl]sulfanyl}-4-(2,3-dihydro-1H-inden-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
ID: Reference4668
Other Names: 3H-1,2,4-Triazol-3-one, 5-[(2-benzo[b]thien-3-yl-2-oxoethyl)thio]-4-(2,3-dihydro-1H-inden-2-yl)-2,4-dihydro-
Formula: C21H17N3O2S2
Spectral Data
1-(1-Benzothiophen-3-yl)-2-{[4-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl]sulfanyl}-1-ethanone 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 | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/26/2016 1:24:30 PM |
Identificators
| InChI | InChI=1S/C21H17N3O2S2/c25-18(17-11-27-19-8-4-3-7-16(17)19)12-28-21-23-22-20(26)24(21)15-9-13-5-1-2-6-14(13)10-15/h1-8,11,15H,9-10,12H2,(H,22,26) |
| InChI Key | VEXYUUXJFRIXSA-UHFFFAOYSA-N |
| Canonical SMILES | C1C(CC2=CC=CC=C21)N3C(=O)NN=C3SCC(=O)C4=CSC5=CC=CC=C54 |
| CAS | |
| Splash | |
| Other Names | 3H-1,2,4-Triazol-3-one, 5-[(2-benzo[b]thien-3-yl-2-oxoethyl)thio]-4-(2,3-dihydro-1H-inden-2-yl)-2,4-dihydro- |