2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CN3C(=S)N(C=N3)CC=C)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CN3C(=S)N(C=N3)CC=C)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H26N4O2S/c1-4-11-25-15-24-27(23(25)30)16-26-12-10-18-13-20(28-2)21(29-3)14-19(18)22(26)17-8-6-5-7-9-17/h4-9,13-15,22H,1,10-12,16H2,2-3H3