2-tert-butyl-4-[2-(4-methylphenyl)sulfanylphenyl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-tert-butyl-4-[2-(4-methylphenyl)sulfanylphenyl]-1,4-dihydroisoquinolin-3-one Openeye Name: 2-tert-butyl-4-[2-(p-tolylsulfanyl)phenyl]-1,4-dihydroisoquinolin-3-one CAS Name: 2-tert-butyl-4-[2-[(4-methylphenyl)thio]phenyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-tert-butyl-4-[2-(4-methylphenyl)sulfanylphenyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 2-tert-butyl-4-[2-(p-tolylthio)phenyl]-1,4-dihydroisoquinolin-3-one Formula: C26H27NOS MolecularWeight: 401.56368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C3C4=CC=CC=C4CN(C3=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C3C4=CC=CC=C4CN(C3=O)C(C)(C)C

InChI

InChI=1S/C26H27NOS/c1-18-13-15-20(16-14-18)29-23-12-8-7-11-22(23)24-21-10-6-5-9-19(21)17-27(25(24)28)26(2,3)4/h5-16,24H,17H2,1-4H3