4-(2-methyl-8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol

Systemtic Name: 4-(2-methyl-8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol Openeye Name: 4-(2-methyl-8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol CAS Name: 4-[2-methyl-8-(methylthio)-3,4-dihydro-1H-isoquinolin-4-yl]benzene-1,2-diol IUPAC Name: 4-(2-methyl-8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol Traditional Name: 4-[2-methyl-8-(methylthio)-3,4-dihydro-1H-isoquinolin-4-yl]pyrocatechol Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C(=CC=C2)SC)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CN1CC(C2=C(C1)C(=CC=C2)SC)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H19NO2S/c1-18-9-13(11-6-7-15(19)16(20)8-11)12-4-3-5-17(21-2)14(12)10-18/h3-8,13,19-20H,9-10H2,1-2H3