FG8
Summary
| Name: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide |
| Formula: | C15 H12 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 305.779 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12ClNO2S/c16-12-6-8-13(9-7-12)20-14-4-2-1-3-11(14)5-10-15(18)17-19/h1-10,19H,(H,17,18)/b10-5+ |
| InChIKey | InChI | 1.03 | LOPNSVKBMZZEHH-BJMVGYQFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)\C=C\c1ccccc1Sc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | ONC(=O)C=Cc1ccccc1Sc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C=CC(=O)NO)Sc2ccc(cc2)Cl |
