2-[(4-methylphenyl)methyl]-3-(4-methylsulfanylphenyl)isoquinolin-1-one

Systemtic Name: 2-[(4-methylphenyl)methyl]-3-(4-methylsulfanylphenyl)isoquinolin-1-one Openeye Name: 3-(4-methylsulfanylphenyl)-2-(p-tolylmethyl)isoquinolin-1-one CAS Name: 2-[(4-methylphenyl)methyl]-3-[4-(methylthio)phenyl]-1-isoquinolinone IUPAC Name: 2-[(4-methylphenyl)methyl]-3-(4-methylsulfanylphenyl)isoquinolin-1-one Traditional Name: 2-(4-methylbenzyl)-3-[4-(methylthio)phenyl]isocarbostyril Formula: C24H21NOS MolecularWeight: 371.49464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H21NOS/c1-17-7-9-18(10-8-17)16-25-23(19-11-13-21(27-2)14-12-19)15-20-5-3-4-6-22(20)24(25)26/h3-15H,16H2,1-2H3