3-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(o-tolyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(o-tolyl)-1,3,4-oxadiazole-2-thione Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)O2)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)O2)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

InChI

InChI=1S/C21H23N3O4S/c1-13-6-4-5-7-14(13)20-22-24(21(29)28-20)12-23-10-15-17(26-2)8-9-18(27-3)19(15)16(25)11-23/h4-9,16,25H,10-12H2,1-3H3