| SpectraBase Spectrum ID |
BCMmaBVCzMS |
| Name |
4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H19N3O2S |
| InChI |
InChI=1S/C23H19N3O2S/c27-22(28)19-13-11-18(12-14-19)16-29-23-25-24-21(15-17-7-3-1-4-8-17)26(23)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,27,28) |
| InChIKey |
SJGACKHVCUMHHR-UHFFFAOYSA-N |
| Molecular Weight |
401.484 g/mol |
| SMILES |
OC(c1ccc(CSc2[n](c(nn2)Cc2ccccc2)-c2ccccc2)cc1)=O |
| SPLASH |
splash10-0f6x-9540100000-cb85ca9863c267acce88 |
| Synonyms |
4-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid
4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
4-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid |
| Wiley ID |
1461143 |
![benzoic acid, 4-[[[4-phenyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-](/api/spectrum/BCMmaBVCzMS/structure.png?h=300&w=458 "benzoic acid, 4-[[[4-phenyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-")
