3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)O2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)O2)CN3CCC4=CC=CC=C4C3

InChI

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