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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H24N4O3S2 MolecularWeight: 456.58096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5)OC

InChI

InChI=1S/C22H24N4O3S2/c1-28-17-10-14-7-8-25(12-15(14)11-18(17)29-2)20(27)13-31-22-24-23-21(19-4-3-9-30-19)26(22)16-5-6-16/h3-4,9-11,16H,5-8,12-13H2,1-2H3