| PDB CCD ID: | J0D |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C19 H17 N2 S |
| InChI: | InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1 |
| InChIKey: | XRXJDLHDDHBJOJ-UHFFFAOYSA-N |
| SMILES: | CN1\C(Sc2ccccc12)=C\c3cc[n+](C)c4ccccc34; C[n+]1ccc(c2c1cccc2)C=C3N(c4ccccc4S3)C; CN1C(Sc2ccccc12)=Cc3cc[n+](C)c4ccccc34; CN4c1ccccc1SC4=[C@H]c3c2c(cccc2)[n+](cc3)C; C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C |
| Name: | 1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium; Thiazole orange |
| ChEMBL: | CHEMBL4117515 |
| ZINC: | ZINC000001081175 |
Reference: