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

Systemtic Name: 6-tert-butyl-2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[(4-chlorophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(4-chlorobenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C18H16ClF3N2S MolecularWeight: 384.84625

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClF3N2S/c1-17(2,3)15-8-14(18(20,21)22)13(9-23)16(24-15)25-10-11-4-6-12(19)7-5-11/h4-8H,10H2,1-3H3