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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N3O4S/c1-4-28-20-13-19(14-21(29-5-2)22(20)30-6-3)23-25-27(24(32)31-23)16-26-12-11-17-9-7-8-10-18(17)15-26/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3