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

Systemtic Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(p-tolyl)-1,2,4-triazole-3-thione Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCC4=CC(=C(C=C4C3C5=CC=CC=C5)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCC4=CC(=C(C=C4C3C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C28H30N4O2S/c1-19-10-12-21(13-11-19)27-29-32(28(35)30(27)2)18-31-15-14-22-16-24(33-3)25(34-4)17-23(22)26(31)20-8-6-5-7-9-20/h5-13,16-17,26H,14-15,18H2,1-4H3