3-(2-hydroxyethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(2-hydroxyethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-(2-hydroxyethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[(2-hydroxyethylthio)methyl]-6-methoxy-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-(2-hydroxyethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[(2-hydroxyethylthio)methyl]-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CSCCO

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CSCCO

InChI

InChI=1S/C20H21NO3S/c1-21-18(13-25-11-10-22)19(14-6-4-3-5-7-14)17-12-15(24-2)8-9-16(17)20(21)23/h3-9,12,22H,10-11,13H2,1-2H3