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

Systemtic Name: 6-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-(trifluoromethyl)nicotinonitrile Formula: C22H22F3N3OS MolecularWeight: 433.48979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H22F3N3OS/c1-21(2,3)18-10-17(22(23,24)25)16(11-26)20(27-18)30-13-19(29)28-9-8-14-6-4-5-7-15(14)12-28/h4-7,10H,8-9,12-13H2,1-3H3