| SpectraBase Spectrum ID |
H45qoOB4Ul7 |
| Name |
4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzoic acid |
| Alternate Name(s) |
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
4-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H17N3O2S |
| InChI |
InChI=1S/C22H17N3O2S/c26-21(27)18-13-11-16(12-14-18)15-28-22-24-23-20(17-7-3-1-4-8-17)25(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,26,27) |
| InChIKey |
DOHGOFAURHEKQT-UHFFFAOYSA-N |
| Molecular Weight |
387.457 g/mol |
| SMILES |
OC(c1ccc(CSc2[n](c(nn2)-c2ccccc2)-c2ccccc2)cc1)=O |
| SPLASH |
splash10-004i-7791000000-a763146c8e87743c1eea |
| Wiley ID |
1451541 |
![4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzoic acid](/api/spectrum/H45qoOB4Ul7/structure.png?h=300&w=458 "4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzoic acid")
