2-{[5-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)-1-ethanone
2-{[5-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)-1-ethanone Structure
Systematic / IUPAC Name: 2-{[5-(1H-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
ID: Reference6739
Other Names:
2-{[5-(Benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone ;
2-{[5-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone;
Ethanone, 2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-1-(4-chlorophenyl)-
Formula: C23H17ClN6OS
Spectral Data
2-{[5-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)-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 | 8/17/2017 11:31:29 AM |
Identificators
| InChI | InChI=1S/C23H17ClN6OS/c24-17-12-10-16(11-13-17)21(31)15-32-23-27-26-22(30(23)18-6-2-1-3-7-18)14-29-20-9-5-4-8-19(20)25-28-29/h1-13H,14-15H2 |
| InChI Key | HPFLATOKASGFCS-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)CN4C5=CC=CC=C5N=N4 |
| CAS | |
| Splash | |
| Other Names |
2-{[5-(Benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone ; 2-{[5-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone; Ethanone, 2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-1-(4-chlorophenyl)- |