5-tert-butyl-2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)N=C(N3)C(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)N=C(N3)C(C)(C)C)OCC

InChI

InChI=1S/C20H30N4O2S/c1-6-25-16-10-14-8-9-23(12-15(14)11-17(16)26-7-2)13-24-19(27)21-18(22-24)20(3,4)5/h10-11H,6-9,12-13H2,1-5H3,(H,21,22,27)