6-tert-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-4-(trifluoromethyl)nicotinonitrile Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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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)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H21F3N2O3S/c1-20(2,3)18-9-14(21(22,23)24)13(10-25)19(26-18)30-11-15(27)12-6-7-16(28-4)17(8-12)29-5/h6-9H,11H2,1-5H3