6-(4-butoxyphenyl)-2-butylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-butoxyphenyl)-2-butylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-butoxyphenyl)-2-butylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-butoxyphenyl)-2-(butylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-butoxyphenyl)-2-butylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-butoxyphenyl)-2-(butylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCC

InChI

InChI=1S/C21H23F3N2OS/c1-3-5-11-27-16-9-7-15(8-10-16)19-13-18(21(22,23)24)17(14-25)20(26-19)28-12-6-4-2/h7-10,13H,3-6,11-12H2,1-2H3