| SpectraBase Spectrum ID |
93YpVJBLdqI |
| Name |
7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one |
| Alternate Name(s) |
8-methyl-4-phenyl-7-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-1-benzopyran-2-one
7-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-phenylchromen-2-one
7-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-phenyl-chromen-2-one
8-methyl-4-phenyl-7-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H21N3O3S |
| InChI |
InChI=1S/C26H21N3O3S/c1-17-22(31-16-23-27-28-26(33)29(23)15-18-8-4-2-5-9-18)13-12-20-21(14-24(30)32-25(17)20)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,28,33) |
| InChIKey |
VJMYHJBIXQWELX-UHFFFAOYSA-N |
| Molecular Weight |
455.532 g/mol |
| SMILES |
Sc1[n](c(nn1)COc1c(c2OC(=O)C=C(c2cc1)c1ccccc1)C)Cc1ccccc1 |
| SPLASH |
splash10-0a4i-0000900000-cc79d81d41b9aa63cb75 |
| Source of Spectrum |
F2-45-3956-6a |
| Wiley ID |
1689393 |
![7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one](/api/spectrum/93YpVJBLdqI/structure.png?h=300&w=458 "7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one")
