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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-6-(4-propoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-6-(4-propoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C23H18ClF3N2OS MolecularWeight: 462.91503

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H18ClF3N2OS/c1-2-11-30-18-9-5-16(6-10-18)21-12-20(23(25,26)27)19(13-28)22(29-21)31-14-15-3-7-17(24)8-4-15/h3-10,12H,2,11,14H2,1H3