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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C24H18F3N3OS MolecularWeight: 453.47943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18F3N3OS/c25-24(26,27)20-12-21(17-7-2-1-3-8-17)29-23(19(20)13-28)32-15-22(31)30-11-10-16-6-4-5-9-18(16)14-30/h1-9,12H,10-11,14-15H2