| SpectraBase Spectrum ID |
3PVfB93lJnp |
| Name |
2-{[4-Allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
527.144967411 u |
| Formula |
C28H25N5O2S2 |
| InChI |
InChI=1S/C28H25N5O2S2/c1-4-15-33-26(21-7-5-6-8-23(21)35-3)31-32-28(33)36-17-25(34)29-20-12-10-19(11-13-20)27-30-22-14-9-18(2)16-24(22)37-27/h4-14,16H,1,15,17H2,2-3H3,(H,29,34) |
| InChIKey |
RRVNJHUAYAWVAD-UHFFFAOYSA-N |
| Molecular Weight |
527.661 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C1=C(OC)C=CC=C1)CC=C)=O)C=1C=CC(C2=NC=3C=CC(=CC3S2)C)=CC1 |
![2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide](/api/spectrum/3PVfB93lJnp/structure.png?h=300&w=458 "2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide")
