2-[(5-{[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethan-1-one
2-[(5-{[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethan-1-one Structure
Systematic / IUPAC Name: 2-[(5-{[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
ID: Reference6440
Other Names:
2-({5-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-phenyl-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone ;
Ethanone, 2-[(5-{[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-phenyl-
Formula: C27H25N3O2S
Spectral Data
2-[(5-{[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethan-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 | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/8/2017 1:09:33 PM |
Identificators
| InChI | InChI=1S/C27H25N3O2S/c1-19-15-16-25(23-14-8-13-22(19)23)32-17-26-28-29-27(30(26)21-11-6-3-7-12-21)33-18-24(31)20-9-4-2-5-10-20/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3 |
| InChI Key | ADKGJIMSJVCHDE-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C2CCCC2=C(C=C1)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names |
2-({5-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-phenyl-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone ; Ethanone, 2-[(5-{[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-phenyl- |