TIC
Summary
| Name: | ticlopidine |
| Synonyms: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
| Formula: | C14 H14 Cl N S |
| Formal charge: | 0 |
| Formula weight: | 263.786 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
| OpenEye OEToolkits | 1.7.0 | (5S)-5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1CN3CCc2sccc2C3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccccc1CN2CCc3sccc3C2 |
| SMILES | CACTVS | 3.370 | Clc1ccccc1CN2CCc3sccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)CN2CCc3c(ccs3)C2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 |
| InChIKey | InChI | 1.03 | PHWBOXQYWZNQIN-UHFFFAOYSA-N |
