6-(4-methoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(phenethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(phenethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C22H17F3N2OS MolecularWeight: 414.44339

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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)SCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H17F3N2OS/c1-28-17-9-7-16(8-10-17)20-13-19(22(23,24)25)18(14-26)21(27-20)29-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3