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

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NN=CN3C4CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NN=CN3C4CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C24H26N4O3S/c1-30-20-12-17-10-11-27(22(29)14-32-24-26-25-15-28(24)18-8-9-18)23(16-6-4-3-5-7-16)19(17)13-21(20)31-2/h3-7,12-13,15,18,23H,8-11,14H2,1-2H3