CT4
Summary
| Name: | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine |
| Formula: | C6 H8 Cl N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 249.678 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine |
| OpenEye OEToolkits | 1.5.0 | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitro-guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ncc(s1)CN/C(=N/[N+]([O-])=O)NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(/NCc1sc(Cl)nc1)=N\[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CNC(NCc1sc(Cl)nc1)=N[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=N[N+](=O)[O-])NCc1cnc(s1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11) |
| InChIKey | InChI | 1.03 | PGOOBECODWQEAB-UHFFFAOYSA-N |
