2-[(4-fluorophenyl)methylsulfanyl]-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-allyloxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-fluorophenyl)methylthio]-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-allyloxyphenyl)-2-[(4-fluorobenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C23H16F4N2OS MolecularWeight: 444.444553

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)F

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H16F4N2OS/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/h2-10,12H,1,11,14H2