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

Systemtic Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC=NN3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)CSC3=NC=NN3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H22N4O3S/c1-27-17-10-15-8-9-25(19(26)12-29-21-22-13-23-24-21)20(14-6-4-3-5-7-14)16(15)11-18(17)28-2/h3-7,10-11,13,20H,8-9,12H2,1-2H3,(H,22,23,24)/t20-/m1/s1