2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole

Systemtic Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole Openeye Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4,5-diphenyl-oxazole CAS Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-4,5-diphenyloxazole IUPAC Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-4,5-diphenyl-oxazole Formula: C27H24N2OS MolecularWeight: 424.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H24N2OS/c1-27(2)17-21-15-9-10-16-22(21)23(29-27)18-31-26-28-24(19-11-5-3-6-12-19)25(30-26)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3