6-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-(phenethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(phenethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C23H19F3N2O2S MolecularWeight: 444.46937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H19F3N2O2S/c1-29-20-9-8-16(12-21(20)30-2)19-13-18(23(24,25)26)17(14-27)22(28-19)31-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3