6-tert-butyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(E)-cinnamyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[(E)-cinnamyl]thio]-4-(trifluoromethyl)nicotinonitrile Formula: C20H19F3N2S MolecularWeight: 376.43847

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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=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H19F3N2S/c1-19(2,3)17-12-16(20(21,22)23)15(13-24)18(25-17)26-11-7-10-14-8-5-4-6-9-14/h4-10,12H,11H2,1-3H3/b10-7+