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

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methyl-3-furyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(2-methyl-3-furyl)-1,2,4-triazole-3-thione Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H26N4O3S/c1-5-8-25-21(18-7-10-29-15(18)2)23-26(22(25)30)14-24-9-6-16-11-19(27-3)20(28-4)12-17(16)13-24/h5,7,10-12H,1,6,8-9,13-14H2,2-4H3