| SpectraBase Spectrum ID |
DVsGQGPHKll |
| Name |
4-(4-Chlorophenylsulfanylmethyl)-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.969425069 u |
| Formula |
C17H11ClF3NS3 |
| InChI |
InChI=1S/C17H11ClF3NS3/c18-12-4-6-15(7-5-12)24-9-14-10-25-16(23)22(14)13-3-1-2-11(8-13)17(19,20)21/h1-8,10H,9H2 |
| InChIKey |
HTFJEYDTLAZMJA-UHFFFAOYSA-N |
| Molecular Weight |
417.910 g/mol |
| SMILES |
C1(N2C(=S)SC=C2CSC=2C=CC(=CC2)Cl)=CC(=CC=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935482 |
