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

Systemtic Name: 6-tert-butyl-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-(4-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-(pyridin-4-ylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-(4-pyridylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C17H16F3N3S MolecularWeight: 351.38925

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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=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3S/c1-16(2,3)14-8-13(17(18,19)20)12(9-21)15(23-14)24-10-11-4-6-22-7-5-11/h4-8H,10H2,1-3H3