91F
Summary
| Name: | 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one |
| Formula: | C15 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 268.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[4-(methylsulfanyl)phenyl]quinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.9.2 | 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3ccccc3N=C(c1ccc(SC)cc1)N2 |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18) |
| InChIKey | InChI | 1.03 | RINHPBSTNZTFJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
