| SpectraBase Spectrum ID |
DNWGKAUmxtc |
| Name |
2-[3-[hydroxy(phenyl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Alternate Name(s) |
2-[3-[hydroxy(phenyl)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[3-[oxidanyl(phenyl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19N3O4S |
| InChI |
InChI=1S/C21H19N3O4S/c25-16-11-15(17-12-27-20(16)28-17)24-21(29)23(14-9-5-2-6-10-14)19(22-24)18(26)13-7-3-1-4-8-13/h1-10,15,17-18,20,26H,11-12H2/t15?,17-,18?,20-/m1/s1 |
| InChIKey |
CQFHZDMAJXCOFK-UNFQPLIOSA-N |
| Molecular Weight |
409.460 g/mol |
| SMILES |
OC(C=1N(C(N(C2[C@@]3(O[C@](C(C2)=O)(OC3)[H])[H])N1)=S)c1ccccc1)c1ccccc1 |
| SPLASH |
splash10-01u0-9444000000-9f1bed4e39ad6e637736 |
| Wiley ID |
1443855 |
![2-[3-[hydroxy(phenyl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/DNWGKAUmxtc/structure.png?h=300&w=458 "2-[3-[hydroxy(phenyl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one")
