THI
Summary
| Name: | THIAZOLO-3-PHENYLISOINDOL-1-ONE |
| Formula: | C16 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 267.346 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9bS)-9b-phenyl-2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5(9bH)-one |
| OpenEye OEToolkits | 1.5.0 | (9bS)-9b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b]isoindol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)C3(SCCN23)c4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1N2CCS[C@@]2(c3ccccc3)c4ccccc14 |
| SMILES | CACTVS | 3.341 | O=C1N2CCS[C]2(c3ccccc3)c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C23c4ccccc4C(=O)N2CCS3 |
| InChI | InChI | 1.03 | InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | CTGFADZNCCTVMP-INIZCTEOSA-N |
