| SpectraBase Spectrum ID |
rBLg7htS1D |
| Name |
1-[(3,4-Diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.162331554 u |
| Formula |
C21H23N5OS |
| InChI |
InChI=1S/C21H23N5OS/c22-19(27)16-11-13-24(14-12-16)15-25-21(28)26(18-9-5-2-6-10-18)20(23-25)17-7-3-1-4-8-17/h1-10,16H,11-15H2,(H2,22,27) |
| InChIKey |
PFBXQKWHGVAFQE-UHFFFAOYSA-N |
| Molecular Weight |
393.509 g/mol |
| SMILES |
NC(C1CCN(CN2C(N(C3=CC=CC=C3)C(=N2)C=2C=CC=CC2)=S)CC1)=O |
![1-[(3,4-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxamide](/api/spectrum/rBLg7htS1D/structure.png?h=300&w=458 "1-[(3,4-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxamide")
