TT6
Summary
| Name: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile |
| Formula: | C12 H11 N3 S |
| Formal charge: | 0 |
| Formula weight: | 229.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11N3S/c1-8-11(16-12(14)15-8)6-9-2-4-10(7-13)5-3-9/h2-5H,6H2,1H3,(H2,14,15) |
| InChIKey | InChI | 1.06 | GRAVLCQUTREOOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(N)sc1Cc2ccc(cc2)C#N |
| SMILES | CACTVS | 3.385 | Cc1nc(N)sc1Cc2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)N)Cc2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)N)Cc2ccc(cc2)C#N |
