2-methyl-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol

Systemtic Name: 2-methyl-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Openeye Name: 2-methyl-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol CAS Name: 2-methyl-1-[1-[2-(methylthio)phenyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol IUPAC Name: 2-methyl-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Traditional Name: 2-methyl-1-[1-[2-(methylthio)phenyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=CC=C4SC)O)O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=CC=C4SC)O)O

InChI

InChI=1S/C21H25NO2S/c1-22-11-8-14-12-17(23)18(24)13-15(14)20(22)21(9-5-10-21)16-6-3-4-7-19(16)25-2/h3-4,6-7,12-13,20,23-24H,5,8-11H2,1-2H3