1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Openeye Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone CAS Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3,4-thiadiazol-2-ylthio)ethanone IUPAC Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Traditional Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3,4-thiadiazol-2-ylthio)ethanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NN=CS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NN=CS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H21N3O3S2/c1-26-17-10-15-8-9-24(19(25)12-28-21-23-22-13-29-21)20(14-6-4-3-5-7-14)16(15)11-18(17)27-2/h3-7,10-11,13,20H,8-9,12H2,1-2H3