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

Systemtic Name: 4-cyclopropyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C5CC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C5CC5)OC

InChI

InChI=1S/C22H25N5O2S/c1-28-19-11-16-7-10-25(13-17(16)12-20(19)29-2)14-26-22(30)27(18-3-4-18)21(24-26)15-5-8-23-9-6-15/h5-6,8-9,11-12,18H,3-4,7,10,13-14H2,1-2H3