D0U
Summary
| Name: | 4-azanyl-2-sulfanyl-benzoic acid |
| Formula: | C7 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 169.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-2-sulfanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO2S/c8-4-1-2-5(7(9)10)6(11)3-4/h1-3,11H,8H2,(H,9,10) |
| InChIKey | InChI | 1.03 | QTXSDPJOPCWEME-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(C(O)=O)c(S)c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(C(O)=O)c(S)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)S)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)S)C(=O)O |
