| SpectraBase Spectrum ID |
6nX3Y7mOMXG |
| Name |
2-(4-Methylphenyl)sulfonyl-5-(phenylmethyl)sulfonyl-1,3,4-thiadiazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.011570457 u |
| Formula |
C16H14N2O4S3 |
| InChI |
InChI=1S/C16H14N2O4S3/c1-12-7-9-14(10-8-12)25(21,22)16-18-17-15(23-16)24(19,20)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey |
HQUVZXUJSNSZQZ-UHFFFAOYSA-N |
| Molecular Weight |
394.478 g/mol |
| SMILES |
C=1(SC(S(CC2=CC=CC=C2)(=O)=O)=NN1)S(C=1C=CC(=CC1)C)(=O)=O |
