| SpectraBase Spectrum ID |
BikmmALbVAs |
| Name |
2-(4-(3-(3-amino-4-((4-chlorophenyl)diazenyl)-1H-pyrazol-5-yl)thioureido)benzamido)acetic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H17ClN8O3S |
| InChI |
InChI=1S/C19H17ClN8O3S/c20-11-3-7-13(8-4-11)25-26-15-16(21)27-28-17(15)24-19(32)23-12-5-1-10(2-6-12)18(31)22-9-14(29)30/h1-8H,9H2,(H,22,31)(H,29,30)(H5,21,23,24,27,28,32)/b26-25+ |
| InChIKey |
YMUXSHOQQJRFIJ-OCEACIFDSA-N |
| Molecular Weight |
472.911 g/mol |
| SMILES |
Nc1n[nH]c(c1\N=N\c1ccc(cc1)Cl)NC(Nc1ccc(C(NCC(=O)O)=O)cc1)=S |
| SPLASH |
splash10-014i-9110000000-42f777c908f8ff912784 |
| Source of Spectrum |
EMC-64-119-10b |
| Synonyms |
(E)-2-(4-(3-(3-amino-4-((4-chlorophenyl)diazenyl)-1H-pyrazol-5-yl)thioureido)benzamido)acetic acid |
| Wiley ID |
1735538 |
