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

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(piperidinomethyl)-1,2,4-triazole-3-thione Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)CN4CCCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)CN4CCCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H33N5O2S/c1-32-23-15-20-11-14-29(17-21(20)16-24(23)33-2)19-30-26(34)31(22-9-5-3-6-10-22)25(27-30)18-28-12-7-4-8-13-28/h3,5-6,9-10,15-16H,4,7-8,11-14,17-19H2,1-2H3