A1AYH
Summary
| Name: | N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)furan-2-carboxamide |
| Formula: | C14 H14 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 295.784 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)furan-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCSCc1ccc(Cl)cc1)c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C14H14ClNO2S/c15-12-5-3-11(4-6-12)10-19-9-7-16-14(17)13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,16,17) |
| InChIKey | InChI | 1.06 | ZLSVDRZOHUGDIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CSCCNC(=O)c2occc2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CSCCNC(=O)c2occc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)NCCSCc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)NCCSCc2ccc(cc2)Cl |
