2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-butoxy-2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-butoxy-2-(trifluoromethyl)-6-quinolinyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-butoxy-2-(trifluoromethyl)-6-quinolyl]methylthio]-1,3-benzothiazole Formula: C22H19F3N2OS2 MolecularWeight: 448.52427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C22H19F3N2OS2/c1-2-3-10-28-18-12-20(22(23,24)25)26-16-9-8-14(11-15(16)18)13-29-21-27-17-6-4-5-7-19(17)30-21/h4-9,11-12H,2-3,10,13H2,1H3