4-[4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]phenyl]-1,2,3-thiadiazole

Systemtic Name: 4-[4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]phenyl]-1,2,3-thiadiazole Openeye Name: 4-[4-[[3-(6-isopropyl-8-quinolyl)phenoxy]methyl]phenyl]thiadiazole CAS Name: 4-[4-[[3-(6-propan-2-yl-8-quinolinyl)phenoxy]methyl]phenyl]thiadiazole IUPAC Name: 4-[4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]phenyl]thiadiazole Traditional Name: 4-[4-[[3-(6-isopropyl-8-quinolyl)phenoxy]methyl]phenyl]thiadiazole Formula: C27H23N3OS MolecularWeight: 437.55602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)C5=CSN=N5

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)C5=CSN=N5

InChI

InChI=1S/C27H23N3OS/c1-18(2)23-13-22-6-4-12-28-27(22)25(15-23)21-5-3-7-24(14-21)31-16-19-8-10-20(11-9-19)26-17-32-30-29-26/h3-15,17-18H,16H2,1-2H3