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

Systemtic Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-ethylphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-ethylphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-ethylphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-ethylphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-ethylphenyl)-1,3,4-oxadiazole-2-thione Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC4=CC(=C(C=C4C3C5=CC=CC=C5)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC4=CC(=C(C=C4C3C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C28H29N3O3S/c1-4-19-10-12-21(13-11-19)27-29-31(28(35)34-27)18-30-15-14-22-16-24(32-2)25(33-3)17-23(22)26(30)20-8-6-5-7-9-20/h5-13,16-17,26H,4,14-15,18H2,1-3H3