6-(4-butoxyphenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-butoxyphenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-allylsulfanyl-6-(4-butoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-butoxyphenyl)-2-(prop-2-enylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-butoxyphenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(allylthio)-6-(4-butoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H19F3N2OS MolecularWeight: 392.43787

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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)SCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N2OS/c1-3-5-10-26-15-8-6-14(7-9-15)18-12-17(20(21,22)23)16(13-24)19(25-18)27-11-4-2/h4,6-9,12H,2-3,5,10-11H2,1H3