| SpectraBase Spectrum ID |
1tAueW2v3ht |
| Name |
5-[(1R,2R)-2-Phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.086053126 u |
| Formula |
C18H14F3N3S |
| InChI |
InChI=1S/C18H14F3N3S/c19-18(20,21)12-7-4-8-13(9-12)24-16(22-23-17(24)25)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,23,25) |
| InChIKey |
LBXODMQZEUUVDI-UHFFFAOYSA-N |
| Molecular Weight |
361.386 g/mol |
| SMILES |
SC=1N(C(C2C(C=3C=CC=CC3)C2)=NN1)C1=CC(=CC=C1)C(F)(F)F |
![5-[(1R,2R)-2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol](/api/spectrum/1tAueW2v3ht/structure.png?h=300&w=458 "5-[(1R,2R)-2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol")
