| SpectraBase Spectrum ID |
JbKYO4jfyX6 |
| Name |
5-(4-Methylphenyl)-3-(2,3,5-tribenzoyl-.beta.-ribofuranosyl)-1,3,4-oxadiazole-2(3H)-thione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
636.156637036 u |
| Formula |
C35H28N2O8S |
| InChI |
InChI=1S/C35H28N2O8S/c1-22-17-19-23(20-18-22)30-36-37(35(46)45-30)31-29(44-34(40)26-15-9-4-10-16-26)28(43-33(39)25-13-7-3-8-14-25)27(42-31)21-41-32(38)24-11-5-2-6-12-24/h2-20,27-29,31H,21H2,1H3/t27-,28-,29-,31-/m1/s1 |
| InChIKey |
RFNVAUZKBPVRKY-BUVRPPHQSA-N |
| Molecular Weight |
636.675 g/mol |
| SMILES |
[C@@]1(N2N=C(C3=CC=C(C=C3)C)OC2=S)([C@@]([C@](OC(=O)C2=CC=CC=C2)([C@](O1)(COC(=O)C1=CC=CC=C1)[H])[H])(OC(=O)C=1C=CC=CC1)[H])[H] |
