| SpectraBase Spectrum ID |
12zmrCSStvG |
| Name |
N-[2-[4-[(E)-(2-Methoxyphenyl)methyleneamino]-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.141596108 u |
| Formula |
C24H21N5O2S |
| InChI |
InChI=1S/C24H21N5O2S/c1-31-21-15-9-6-12-18(21)16-25-29-22(27-28-24(29)32-2)19-13-7-8-14-20(19)26-23(30)17-10-4-3-5-11-17/h3-16H,1-2H3,(H,26,30)/b25-16+ |
| InChIKey |
UELNGYUSQFFCMD-PCLIKHOPSA-N |
| Molecular Weight |
443.525 g/mol |
| SMILES |
C=1(N(C(=NN1)SC)\N=C\C=1C(OC)=CC=CC1)C=1C(NC(=O)C=2C=CC=CC2)=CC=CC1 |
![N-[2-[4-[(E)-(2-methoxyphenyl)methyleneamino]-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide](/api/spectrum/12zmrCSStvG/structure.png?h=300&w=458 "N-[2-[4-[(E)-(2-methoxyphenyl)methyleneamino]-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide")
