4-(2-methyl-1-oxidanyl-1H-isoquinolin-4-yl)-1-phenylsulfanyl-butan-2-one

Systemtic Name: 4-(2-methyl-1-oxidanyl-1H-isoquinolin-4-yl)-1-phenylsulfanyl-butan-2-one Openeye Name: 4-(1-hydroxy-2-methyl-1H-isoquinolin-4-yl)-1-phenylsulfanyl-butan-2-one CAS Name: 4-(1-hydroxy-2-methyl-1H-isoquinolin-4-yl)-1-(phenylthio)-2-butanone IUPAC Name: 4-(1-hydroxy-2-methyl-1H-isoquinolin-4-yl)-1-phenylsulfanylbutan-2-one Traditional Name: 4-(1-hydroxy-2-methyl-1H-isoquinolin-4-yl)-1-(phenylthio)butan-2-one Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1O)CCC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1O)CCC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H21NO2S/c1-21-13-15(18-9-5-6-10-19(18)20(21)23)11-12-16(22)14-24-17-7-3-2-4-8-17/h2-10,13,20,23H,11-12,14H2,1H3