2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-(3-pyridyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-(3-pyridinyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-pyridin-3-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-(3-pyridyl)-4-(trifluoromethyl)nicotinonitrile Formula: C23H17F3N4OS MolecularWeight: 454.46749

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=C(C(=CC(=N3)C4=CN=CC=C4)C(F)(F)F)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=C(C(=CC(=N3)C4=CN=CC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C23H17F3N4OS/c24-23(25,26)19-10-20(16-6-3-8-28-12-16)29-22(18(19)11-27)32-14-21(31)30-9-7-15-4-1-2-5-17(15)13-30/h1-6,8,10,12H,7,9,13-14H2