| SpectraBase Spectrum ID |
3P1DQx23lhx |
| Name |
4,5,6,7-Tetrahydro-8-(1-methyleethyl)-8-(4-phenyl-3,5(4H)-dioxo-1,2,4-triazol-1-yl)-4,7-methano-2-benzothiophene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H19N3O2S |
| InChI |
InChI=1S/C20H19N3O2S/c1-12(2)20(16-8-9-17(20)15-11-26-10-14(15)16)23-19(25)22(18(24)21-23)13-6-4-3-5-7-13/h3-7,10-11,16-17H,1,8-9H2,2H3,(H,21,24)/t16-,17+,20+ |
| InChIKey |
ABXFULDBIPKNOJ-YRWFTTLQSA-N |
| Molecular Weight |
365.451 g/mol |
| SMILES |
N1N(C(N(C1=O)c1ccccc1)=O)[C@]1([C@]2(c3cscc3[C@@]1(CC2)[H])[H])C(=C)C |
| SPLASH |
splash10-000i-0900000000-7d872125579819185c8e |
| Source of Spectrum |
KC-57-9082-39 |
| Synonyms |
4,5,6,7-Tetrahydro-8-(1-methylenethyl)-8-(4-phenyl-3,5(4H)-dioxo-1,2,4-triazol-1-yl)-4,7-methano-2-benzothiophene
1-(10-isopropenyl-4-thiatricyclo[5.2.1.0(2,6)]deca-2,5-dien-10-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione |
| Wiley ID |
1626338 |
