1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-25-21(15-7-5-4-6-8-15)23-24-22(25)30-14-20(27)26-10-9-16-11-18(28-2)19(29-3)12-17(16)13-26/h4-8,11-12H,9-10,13-14H2,1-3H3