6-[3-methyl-4-(3-methylbutoxy)phenyl]-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-[3-methyl-4-(3-methylbutoxy)phenyl]-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-isopentyloxy-3-methyl-phenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-[3-methyl-4-(3-methylbutoxy)phenyl]-2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(4-isoamoxy-3-methyl-phenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C26H25F3N2OS MolecularWeight: 470.54971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3)OCCC(C)C

InChI

InChI=1S/C26H25F3N2OS/c1-17(2)11-12-32-24-10-9-20(13-18(24)3)23-14-22(26(27,28)29)21(15-30)25(31-23)33-16-19-7-5-4-6-8-19/h4-10,13-14,17H,11-12,16H2,1-3H3