2-tert-butyl-7-methoxy-4-[2-(4-methylphenyl)sulfanylphenyl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-tert-butyl-7-methoxy-4-[2-(4-methylphenyl)sulfanylphenyl]-1,4-dihydroisoquinolin-3-one Openeye Name: 2-tert-butyl-7-methoxy-4-[2-(p-tolylsulfanyl)phenyl]-1,4-dihydroisoquinolin-3-one CAS Name: 2-tert-butyl-7-methoxy-4-[2-[(4-methylphenyl)thio]phenyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-tert-butyl-7-methoxy-4-[2-(4-methylphenyl)sulfanylphenyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 2-tert-butyl-7-methoxy-4-[2-(p-tolylthio)phenyl]-1,4-dihydroisoquinolin-3-one Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C3C4=C(CN(C3=O)C(C)(C)C)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C3C4=C(CN(C3=O)C(C)(C)C)C=C(C=C4)OC

InChI

InChI=1S/C27H29NO2S/c1-18-10-13-21(14-11-18)31-24-9-7-6-8-23(24)25-22-15-12-20(30-5)16-19(22)17-28(26(25)29)27(2,3)4/h6-16,25H,17H2,1-5H3