| SpectraBase Spectrum ID |
2KbEaBYrBgQ |
| Name |
7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-propyl-2H-1-benzopyran-2-one |
| Alternate Name(s) |
8-methyl-7-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-propyl-1-benzopyran-2-one
7-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-propylchromen-2-one
7-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-propyl-chromen-2-one
8-methyl-7-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-propyl-chromen-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H23N3O3S |
| InChI |
InChI=1S/C23H23N3O3S/c1-3-7-17-12-21(27)29-22-15(2)19(11-10-18(17)22)28-14-20-24-25-23(30)26(20)13-16-8-5-4-6-9-16/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,25,30) |
| InChIKey |
PDOKPTUSNHONEN-UHFFFAOYSA-N |
| Molecular Weight |
421.515 g/mol |
| SMILES |
Sc1[n](c(nn1)COc1c(c2OC(=O)C=C(c2cc1)CCC)C)Cc1ccccc1 |
| SPLASH |
splash10-00di-0000900000-e8dff0aa10e56010d8eb |
| Source of Spectrum |
F2-45-3956-6c |
| Wiley ID |
1689391 |
![7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-propyl-2H-1-benzopyran-2-one](/api/spectrum/2KbEaBYrBgQ/structure.png?h=300&w=458 "7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-propyl-2H-1-benzopyran-2-one")
