| SpectraBase Spectrum ID |
HCyooXHeNQf |
| Name |
4-(4-Bromophenyl)-1-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}thiosemicarbazide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.993214474 u |
| Formula |
C17H15BrN6OS2 |
| InChI |
InChI=1S/C17H15BrN6OS2/c18-12-6-8-13(9-7-12)20-16(26)22-21-15(25)10-27-17-23-19-11-24(17)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,21,25)(H2,20,22,26) |
| InChIKey |
XOQFLYDXCRMJOS-UHFFFAOYSA-N |
| Molecular Weight |
463.372 g/mol |
| SMILES |
C=1(N(C=NN1)C1=CC=CC=C1)SCC(NNC(NC1=CC=C(C=C1)Br)=S)=O |
![4-(4-Bromophenyl)-1-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}thiosemicarbazide](/api/spectrum/HCyooXHeNQf/structure.png?h=300&w=458 "4-(4-Bromophenyl)-1-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}thiosemicarbazide")
