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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5)OC

InChI

InChI=1S/C25H24N4O3S2/c1-31-20-13-17-10-11-28(15-18(17)14-21(20)32-2)23(30)16-34-25-27-26-24(22-9-6-12-33-22)29(25)19-7-4-3-5-8-19/h3-9,12-14H,10-11,15-16H2,1-2H3