D1V
Summary
| Name: | 2-mercapto(3H)quinazolinone |
| Synonyms: | 2-sulfanylquinazolin-4(3H)-one |
| Formula: | C8 H6 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 178.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-sulfanylquinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-sulfanyl-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=C(S)N1)cccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | SC1=Nc2ccccc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | SC1=Nc2ccccc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)NC(=N2)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)NC(=N2)S |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
| InChIKey | InChI | 1.03 | PUPFOFVEHDNUJU-UHFFFAOYSA-N |
