A1BCR
Summary
| Name: | N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide |
| Formula: | C9 H8 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 236.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(6-oxidanylidene-1~{H}-pyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC=1C=CC(=O)NN=1)c1cscn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8N4O2S/c14-8-2-1-6(12-13-8)3-10-9(15)7-4-16-5-11-7/h1-2,4-5H,3H2,(H,10,15)(H,13,14) |
| InChIKey | InChI | 1.06 | WJZNUSUKVOWSTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NN=C(CNC(=O)c2cscn2)C=C1 |
| SMILES | CACTVS | 3.385 | O=C1NN=C(CNC(=O)c2cscn2)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(ncs1)C(=O)NCC2=NNC(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(ncs1)C(=O)NCC2=NNC(=O)C=C2 |
