3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

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