| SpectraBase Spectrum ID |
3tf1pC7vBmk |
| Name |
4-[((5E)-4-methyl-3-[(4-methylphenyl)sulfonyl]-1,2,4-thiadiazol-5(4H)-ylidene)amino]butanenitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.071468117 u |
| Formula |
C14H16N4O2S2 |
| InChI |
InChI=1S/C14H16N4O2S2/c1-11-5-7-12(8-6-11)22(19,20)14-17-21-13(18(14)2)16-10-4-3-9-15/h5-8H,3-4,10H2,1-2H3/b16-13+ |
| InChIKey |
GFWDVQCGQYKZNN-DTQAZKPQSA-N |
| Molecular Weight |
336.428 g/mol |
| SMILES |
C=1(S(C2=CC=C(C=C2)C)(=O)=O)N(\C(=N/CCCC#N)SN1)C |
![4-[((5E)-4-methyl-3-[(4-methylphenyl)sulfonyl]-1,2,4-thiadiazol-5(4H)-ylidene)amino]butanenitrile](/api/spectrum/3tf1pC7vBmk/structure.png?h=300&w=458 "4-[((5E)-4-methyl-3-[(4-methylphenyl)sulfonyl]-1,2,4-thiadiazol-5(4H)-ylidene)amino]butanenitrile")
