| SpectraBase Spectrum ID |
2esS4WUFmME |
| Name |
4,5-Dihydro-5-(4-methoxyphenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-5-phenylpyrazole-1-carbothioamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N6OS |
| InChI |
InChI=1S/C21H22N6OS/c1-13-4-8-16(9-5-13)26-14(2)20(23-25-26)18-12-19(27(24-18)21(22)29)15-6-10-17(28-3)11-7-15/h4-11,19H,12H2,1-3H3,(H2,22,29) |
| InChIKey |
FTJBHKQQQBYYNM-UHFFFAOYSA-N |
| Molecular Weight |
406.508 g/mol |
| SMILES |
NC(N1N=C(c2nn[n](c2C)-c2ccc(C)cc2)CC1c1ccc(cc1)OC)=S |
| SPLASH |
splash10-03di-9000000000-535f285dd539777594f6 |
| Source of Spectrum |
Y-48-1158-4e |
| Wiley ID |
1704588 |
