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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-methylsulfanylphenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-methylsulfanylphenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-3-[4-(methylthio)phenyl]-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-methylsulfanylphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-3-[4-(methylthio)phenyl]isocarbostyril Formula: C25H23NOS MolecularWeight: 385.52122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NOS/c1-17-8-9-21(18(2)14-17)16-26-24(19-10-12-22(28-3)13-11-19)15-20-6-4-5-7-23(20)25(26)27/h4-15H,16H2,1-3H3