6-bromanyl-3-ethanoyl-2-[(4-methylsulfanylphenyl)methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-3-ethanoyl-2-[(4-methylsulfanylphenyl)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-acetyl-6-bromo-2-[(4-methylsulfanylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-acetyl-6-bromo-2-[[4-(methylthio)phenyl]methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-acetyl-6-bromo-2-[(4-methylsulfanylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-acetyl-6-bromo-2-[4-(methylthio)benzyl]-4-phenyl-isocarbostyril Formula: C25H20BrNO2S MolecularWeight: 478.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)SC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)SC)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrNO2S/c1-16(28)24-23(18-6-4-3-5-7-18)22-14-19(26)10-13-21(22)25(29)27(24)15-17-8-11-20(30-2)12-9-17/h3-14H,15H2,1-2H3