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

Systemtic Name: 2-butylsulfanyl-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-butylsulfanyl-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(butylthio)-6-(4-propoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-butylsulfanyl-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(butylthio)-6-(4-propoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H21F3N2OS MolecularWeight: 394.45375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCCC)C(F)(F)F)C#N

Isomeric SMILES

CCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCCC)C(F)(F)F)C#N

InChI

InChI=1S/C20H21F3N2OS/c1-3-5-11-27-19-16(13-24)17(20(21,22)23)12-18(25-19)14-6-8-15(9-7-14)26-10-4-2/h6-9,12H,3-5,10-11H2,1-2H3