1IE
Summary
| Name: | ~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine |
| Formula: | C19 H16 N2 S |
| Formal charge: | 0 |
| Formula weight: | 304.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3 |
| InChIKey | InChI | 1.06 | ZMQQEACDZCVCPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1 |
| SMILES | CACTVS | 3.385 | CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1cccc(c1)Nc2c3ccccc3[nH]c-4cccc24 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1cccc(c1)Nc2c3ccccc3[nH]c-4cccc24 |
