A1CGW
Summary
| Name: | 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine |
| Formula: | C11 H7 Cl2 N3 S2 |
| Formal charge: | 0 |
| Formula weight: | 316.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine |
| OpenEye OEToolkits | 3.1.0.0 | 5-chloranyl-~{N}-[(5-chloranyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cnc(s1)CNc1cc2sncc2cc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C11H7Cl2N3S2/c12-7-1-6-3-16-18-9(6)2-8(7)14-5-11-15-4-10(13)17-11/h1-4,14H,5H2 |
| InChIKey | InChI | 1.06 | GFNMKESSHVFPQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1sc(CNc2cc3sncc3cc2Cl)nc1 |
| SMILES | CACTVS | 3.385 | Clc1sc(CNc2cc3sncc3cc2Cl)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c2cnsc2cc(c1Cl)NCc3ncc(s3)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c2cnsc2cc(c1Cl)NCc3ncc(s3)Cl |
