EUB
Summary
| Name: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile |
| Formula: | C15 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 281.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11N3OS/c16-8-10-1-3-11(4-2-10)9-19-12-5-6-13-14(7-12)20-15(17)18-13/h1-7H,9H2,(H2,17,18) |
| InChIKey | InChI | 1.03 | ZIROAUYIWZSHKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(OCc3ccc(cc3)C#N)ccc2n1 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(OCc3ccc(cc3)C#N)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N |
