1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C20H16F3N3OS2 MolecularWeight: 435.48575

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C20H16F3N3OS2/c21-20(22,23)17-10-15(16-6-3-9-28-16)24-19(25-17)29-12-18(27)26-8-7-13-4-1-2-5-14(13)11-26/h1-6,9-10H,7-8,11-12H2