4P6
Summary
| Name: | (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine |
| Synonyms: | 2-thiophenylmethylene anabaseine |
| Formula: | C15 H14 N2 S |
| Formal charge: | 0 |
| Formula weight: | 254.35 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine |
| OpenEye OEToolkits | 1.9.2 | 3-[(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cncc(c1)C=2/C(CCCN=2)=C/c3cccs3 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2S/c1-5-13(11-16-7-1)15-12(4-2-8-17-15)10-14-6-3-9-18-14/h1,3,5-7,9-11H,2,4,8H2/b12-10+ |
| InChIKey | InChI | 1.03 | MYYXDAYQWWIEQW-ZRDIBKRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN=C(\C(C1)=C\c2sccc2)c3cccnc3 |
| SMILES | CACTVS | 3.385 | C1CN=C(C(C1)=Cc2sccc2)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C2=NCCCC2=Cc3cccs3 |
