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

Systemtic Name: 2-[[4-propan-2-yloxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-isopropoxy-2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-propan-2-yloxy-2-(trifluoromethyl)-6-quinolinyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-propan-2-yloxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-isopropoxy-2-(trifluoromethyl)-6-quinolyl]methylthio]-1,3-benzothiazole Formula: C21H17F3N2OS2 MolecularWeight: 434.49769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CC(C)OC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C21H17F3N2OS2/c1-12(2)27-17-10-19(21(22,23)24)25-15-8-7-13(9-14(15)17)11-28-20-26-16-5-3-4-6-18(16)29-20/h3-10,12H,11H2,1-2H3