SpectraBase Spectrum ID |
DJJfqVp2gw2 |
Name |
4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-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 |
372.004430609 u |
Formula |
C16H13BrN4S |
InChI |
InChI=1S/C16H13BrN4S/c1-11-5-4-7-12(9-11)15-19-20-16(22)21(15)18-10-13-6-2-3-8-14(13)17/h2-10H,1H3,(H,20,22)/b18-10+ |
InChIKey |
YCSAQGSRHBTCFZ-VCHYOVAHSA-N |
Molecular Weight |
373.272 g/mol |
SMILES |
SC=1N(C(=NN1)C1=CC(C)=CC=C1)\N=C\C=1C(Br)=CC=CC1 |