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

Systemtic Name: 6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C12H13F3N2S MolecularWeight: 274.30523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SC

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SC

InChI

InChI=1S/C12H13F3N2S/c1-11(2,3)9-5-8(12(13,14)15)7(6-16)10(17-9)18-4/h5H,1-4H3