2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-6-tert-butyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-6-tert-butyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H17F3N2O3S MolecularWeight: 422.42079

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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=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H17F3N2O3S/c1-19(2,3)17-7-13(20(21,22)23)12(8-24)18(25-17)29-9-14(26)11-4-5-15-16(6-11)28-10-27-15/h4-7H,9-10H2,1-3H3