ZFP
Summary
| Name: | 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine |
| Formula: | C17 H19 N S |
| Formal charge: | 0 |
| Formula weight: | 269.404 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[5-[(~{E})-but-2-en-2-yl]thiophen-2-yl]phenyl]azetidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C/C(=C\C)c1ccc(s1)c1ccc(cc1)N1CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C17H19NS/c1-3-13(2)16-9-10-17(19-16)14-5-7-15(8-6-14)18-11-4-12-18/h3,5-10H,4,11-12H2,1-2H3/b13-3+ |
| InChIKey | InChI | 1.03 | UJDWZSVKXHLFTM-QLKAYGNNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C/C=C(C)/c1sc(cc1)c2ccc(cc2)N3CCC3 |
| SMILES | CACTVS | 3.385 | CC=C(C)c1sc(cc1)c2ccc(cc2)N3CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C(C)c1ccc(s1)c2ccc(cc2)N3CCC3 |
