A1CW8
Summary
| Name: | (2E)-3,6-dimethyl-1,3-benzothiazol-2(3H)-imine |
| Formula: | C9 H10 N2 S |
| Formal charge: | 0 |
| Formula weight: | 178.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-3,6-dimethyl-1,3-benzothiazol-2(3H)-imine |
| OpenEye OEToolkits | 3.1.0.0 | 3,6-dimethyl-1,3-benzothiazol-2-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc2c(c1)SC(=N)N2C |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2S/c1-6-3-4-7-8(5-6)12-9(10)11(7)2/h3-5,10H,1-2H3/b10-9+ |
| InChIKey | InChI | 1.06 | PMACKGVXHRBIPC-MDZDMXLPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=N)Sc2cc(C)ccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=N)Sc2cc(C)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C/1\N(c2ccc(cc2S1)C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)SC(=N)N2C |
