| SpectraBase Spectrum ID |
AvLKDNNAMBh |
| Name |
2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-pyridinylmethyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.070422745 u |
| Formula |
C19H18N6OS3 |
| InChI |
InChI=1S/C19H18N6OS3/c1-25-16(11-28-19-22-14-7-2-3-8-15(14)29-19)23-24-18(25)27-12-17(26)21-10-13-6-4-5-9-20-13/h2-9H,10-12H2,1H3,(H,21,26) |
| InChIKey |
GDUYHENRGNXABY-UHFFFAOYSA-N |
| Molecular Weight |
442.574 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)CSC1=NC2=CC=CC=C2S1)C)=O)CC1=NC=CC=C1 |
![2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-pyridinylmethyl)acetamide](/api/spectrum/AvLKDNNAMBh/structure.png?h=300&w=458 "2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-pyridinylmethyl)acetamide")
