2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CC(C3=C(C=CC(=C3C2)OC)OC)O)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CC(C3=C(C=CC(=C3C2)OC)OC)O)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S/c1-24-20(11-15-7-5-4-6-8-15)23-26(22(24)30)14-25-12-16-18(28-2)9-10-19(29-3)21(16)17(27)13-25/h4-10,17,27H,11-14H2,1-3H3