RNK
Summary
| Name: | 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one |
| Formula: | C11 H12 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 269.75 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | UTXFLBKLCRBXBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)NCc2sccc2C |
| SMILES | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)NCc2sccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl |
