| SpectraBase Spectrum ID |
8ngCPS1SNiI |
| Name |
1-[5-(N-Phenyl-N-mercaptopropyl)amino-3-p-methylphenyl-1H-pyrazol-4-yl]-1,2,4-triazole |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N6S |
| InChI |
InChI=1S/C21H22N6S/c1-16-8-10-17(11-9-16)19-20(27-15-22-14-23-27)21(25-24-19)26(12-5-13-28)18-6-3-2-4-7-18/h2-4,6-11,14-15,28H,5,12-13H2,1H3,(H,24,25) |
| InChIKey |
QWHLOEPKTJBVKX-UHFFFAOYSA-N |
| Molecular Weight |
390.509 g/mol |
| SMILES |
[nH]1nc(c(c1N(CCCS)c1ccccc1)-[n]1ncnc1)-c1ccc(cc1)C |
| SPLASH |
splash10-0006-9303000000-b5fb1b711a15a1520d12 |
| Source of Spectrum |
H1-41-1658-6 |
| Synonyms |
3-{[3-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]anilino}-1-propanethiol
3-{[3-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]anilino}propyl hydrosulfide |
| Wiley ID |
757316 |
![1-[5-(N-Phenyl-N-mercaptopropyl)amino-3-p-methylphenyl-1H-pyrazol-4-yl]-1,2,4-triazole](/api/spectrum/8ngCPS1SNiI/structure.png?h=300&w=458 "1-[5-(N-Phenyl-N-mercaptopropyl)amino-3-p-methylphenyl-1H-pyrazol-4-yl]-1,2,4-triazole")
