7WB
Summary
| Name: | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole |
| Synonyms: | Camalexin |
| Formula: | C11 H8 N2 S1 |
| Formal charge: | 0 |
| Formula weight: | 200.26 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+ |
| InChIKey | InChI | 1.03 | IUBODNCSFJZWGR-PKNBQFBNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N\1C=CSC\1=C/2C=Nc3ccccc/23 |
| SMILES | CACTVS | 3.385 | N1C=CSC1=C2C=Nc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=C3NC=CS3)C=N2 |
