| SpectraBase Spectrum ID |
9i6d4em83ls |
| Name |
1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-(5-nitro-2-thiazolyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.986205502 u |
| Formula |
C12H14IN5O3S |
| InChI |
InChI=1S/C12H14IN5O3S/c1-7-11(13)8(2)17(16-7)5-3-4-9(19)15-12-14-6-10(22-12)18(20)21/h6H,3-5H2,1-2H3,(H,14,15,19) |
| InChIKey |
GABSJBXRWFTDAZ-UHFFFAOYSA-N |
| Molecular Weight |
435.240 g/mol |
| SMILES |
C1(=CN=C(S1)NC(=O)CCCN1N=C(C(=C1C)I)C)N(=O)=O |
