| SpectraBase Spectrum ID |
8TidV2TC6wE |
| Name |
Acetamide, N-(2-chlorophenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.093456072 u |
| Formula |
C19H17ClN8OS |
| InChI |
InChI=1S/C19H17ClN8OS/c1-27-16(11-28-25-18(23-26-28)13-7-3-2-4-8-13)22-24-19(27)30-12-17(29)21-15-10-6-5-9-14(15)20/h2-10H,11-12H2,1H3,(H,21,29) |
| InChIKey |
DUSSQIOPOUGDQZ-UHFFFAOYSA-N |
| Molecular Weight |
440.913 g/mol |
| SMILES |
C1=CC=CC(C=2N=NN(N2)CC=2N(C(=NN2)SCC(=O)NC2=CC=CC=C2Cl)C)=C1 |
![Acetamide, N-(2-chlorophenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-](/api/spectrum/8TidV2TC6wE/structure.png?h=300&w=458 "Acetamide, N-(2-chlorophenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-")
