6-(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(E)-cinnamyl]sulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[(E)-cinnamyl]thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C23H17F3N2OS MolecularWeight: 426.45409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H17F3N2OS/c1-29-18-11-9-17(10-12-18)21-14-20(23(24,25)26)19(15-27)22(28-21)30-13-5-8-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3/b8-5+