ZFG
Summary
| Name: | 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline |
| Formula: | C16 H19 N S |
| Formal charge: | 0 |
| Formula weight: | 257.394 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline |
| OpenEye OEToolkits | 2.0.7 | 4-[5-[(~{E})-but-2-en-2-yl]thiophen-2-yl]-~{N},~{N}-dimethyl-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C/C(=C\C)c1ccc(s1)c1ccc(cc1)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+ |
| InChIKey | InChI | 1.03 | AMMZMSCAYJQWSM-LFYBBSHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C(/C)c1sc(cc1)c2ccc(cc2)N(C)C |
| SMILES | CACTVS | 3.385 | CC=C(C)c1sc(cc1)c2ccc(cc2)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C(C)c1ccc(s1)c2ccc(cc2)N(C)C |
