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

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=NC=C4

InChI

InChI=1S/C22H27N5O2S/c1-4-10-26-21(16-5-8-23-9-6-16)24-27(22(26)30)15-25-11-7-17-12-19(28-2)20(29-3)13-18(17)14-25/h5-6,8-9,12-13H,4,7,10-11,14-15H2,1-3H3