| SpectraBase Spectrum ID |
CYFqM33jcD3 |
| Name |
7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-4-propyl-2H-1-benzopyran-2-one |
| Alternate Name(s) |
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]-4-propylchromen-2-one
7-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-4-propyl-chromen-2-one
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 |
C22H21N3O3S |
| InChI |
InChI=1S/C22H21N3O3S/c1-2-6-16-11-21(26)28-19-12-17(9-10-18(16)19)27-14-20-23-24-22(29)25(20)13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,24,29) |
| InChIKey |
NLTCXWDQPAOXJO-UHFFFAOYSA-N |
| Molecular Weight |
407.488 g/mol |
| SMILES |
Sc1[n](c(nn1)COc1cc2OC(=O)C=C(c2cc1)CCC)Cc1ccccc1 |
| SPLASH |
splash10-0a4i-0000900000-c30cf3a83eb25ff148f9 |
| Source of Spectrum |
F2-45-3956-6b |
| Wiley ID |
1689392 |
![7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-4-propyl-2H-1-benzopyran-2-one](/api/spectrum/CYFqM33jcD3/structure.png?h=300&w=458 "7-[(5-Mercapto-4-benzyl-1,2,4-triazol-3-yl)methoxy]-4-propyl-2H-1-benzopyran-2-one")
