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

Systemtic Name: 6-tert-butyl-2-[(4-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(4-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[(4-cyanophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[(4-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(4-cyanobenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C19H16F3N3S MolecularWeight: 375.41065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H16F3N3S/c1-18(2,3)16-8-15(19(20,21)22)14(10-24)17(25-16)26-11-13-6-4-12(9-23)5-7-13/h4-8H,11H2,1-3H3