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

Systemtic Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-tetrazole-5-thione Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(N=N3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(N=N3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C21H25N5O2S/c1-3-27-19-12-16-10-11-24(14-17(16)13-20(19)28-4-2)15-25-21(29)26(23-22-25)18-8-6-5-7-9-18/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3