1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(o-tolyl)-5-thioxo-4H-pyrazol-3-yl]sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(o-tolyl)-5-thioxo-2-pyrazolin-3-yl]thio]ethanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)CC(=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)CC(=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H25N3O3S2/c1-15-6-4-5-7-18(15)26-23(30)12-21(24-26)31-14-22(27)25-9-8-16-10-19(28-2)20(29-3)11-17(16)13-25/h4-7,10-11H,8-9,12-14H2,1-3H3