7-(dimethylamino)-3-(2-methylsulfanylphenyl)-2H-isoquinolin-1-one

Systemtic Name: 7-(dimethylamino)-3-(2-methylsulfanylphenyl)-2H-isoquinolin-1-one Openeye Name: 7-(dimethylamino)-3-(2-methylsulfanylphenyl)-2H-isoquinolin-1-one CAS Name: 7-(dimethylamino)-3-[2-(methylthio)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(dimethylamino)-3-(2-methylsulfanylphenyl)-2H-isoquinolin-1-one Traditional Name: 7-(dimethylamino)-3-[2-(methylthio)phenyl]isocarbostyril Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3SC

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3SC

InChI

InChI=1S/C18H18N2OS/c1-20(2)13-9-8-12-10-16(19-18(21)15(12)11-13)14-6-4-5-7-17(14)22-3/h4-11H,1-3H3,(H,19,21)