| SpectraBase Spectrum ID |
8xf60PbTi7U |
| Name |
3-[(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl)-amino]-5,5-dimethyl-cyclohex-2-enone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20N4OS |
| InChI |
InChI=1S/C17H20N4OS/c1-17(2)9-12(8-14(22)10-17)18-11-15-19-20-16(23)21(15)13-6-4-3-5-7-13/h3-8,18H,9-11H2,1-2H3,(H,20,23) |
| InChIKey |
YHMOXPFECALZIR-UHFFFAOYSA-N |
| Molecular Weight |
328.434 g/mol |
| SMILES |
N(C1=CC(=O)CC(C1)(C)C)Cc1[n](c(nn1)S)-c1ccccc1 |
| SPLASH |
splash10-004i-7906000000-93b6a4af8054fe9f9168 |
| Source of Spectrum |
F2-44-3685-18 |
| Synonyms |
5,5-Dimethyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]-1-cyclohex-2-enone
5,5-Dimethyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]cyclohex-2-en-1-one |
| Wiley ID |
1706024 |
![3-[(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl)-amino]-5,5-dimethyl-cyclohex-2-enone](/api/spectrum/8xf60PbTi7U/structure.png?h=300&w=458 "3-[(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl)-amino]-5,5-dimethyl-cyclohex-2-enone")
