6-tert-butyl-2-(2-oxidanylidenepropylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-(2-oxidanylidenepropylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-(2-oxopropylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-(2-oxopropylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-tert-butyl-4-(trifluoromethyl)nicotinonitrile Formula: C14H15F3N2OS MolecularWeight: 316.34191

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C(=CC(=N1)C(C)(C)C)C(F)(F)F)C#N

Isomeric SMILES

CC(=O)CSC1=C(C(=CC(=N1)C(C)(C)C)C(F)(F)F)C#N

InChI

InChI=1S/C14H15F3N2OS/c1-8(20)7-21-12-9(6-18)10(14(15,16)17)5-11(19-12)13(2,3)4/h5H,7H2,1-4H3