| SpectraBase Spectrum ID |
DUHuhtSc7Vi |
| Name |
3-{[3''-(N-Phenyl-N-mercaptopropylamino)-5''-(p-methoxyphenyl)]isoxazol-4'-yl}-1,2,4-triazole |
| Alternate Name(s) |
3-{[5-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-3-yl)-3-isoxazolyl]anilino}-1-propanethiol
3-{[5-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-3-yl)-3-isoxazolyl]anilino}propyl hydrosulfide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21N5O2S |
| InChI |
InChI=1S/C21H21N5O2S/c1-27-17-10-8-15(9-11-17)19-18(20-22-14-23-24-20)21(25-28-19)26(12-5-13-29)16-6-3-2-4-7-16/h2-4,6-11,14,29H,5,12-13H2,1H3,(H,22,23,24) |
| InChIKey |
XDAAIQXUBIIPTK-UHFFFAOYSA-N |
| Molecular Weight |
407.492 g/mol |
| SMILES |
SCCCN(c1c(-c2n[nH]cn2)c(on1)-c1ccc(cc1)OC)c1ccccc1 |
| SPLASH |
splash10-002r-7900000000-1e074edb9134312252be |
| Source of Spectrum |
SK-23-3223-3 |
| Wiley ID |
865843 |
![3-{[3''-(N-Phenyl-N-mercaptopropylamino)-5''-(p-methoxyphenyl)]isoxazol-4'-yl}-1,2,4-triazole](/api/spectrum/DUHuhtSc7Vi/structure.png?h=300&w=458 "3-{[3''-(N-Phenyl-N-mercaptopropylamino)-5''-(p-methoxyphenyl)]isoxazol-4'-yl}-1,2,4-triazole")
