2-[3-(3-oxidanylpropylamino)-1-thiophen-3-yl-propoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[3-(3-oxidanylpropylamino)-1-thiophen-3-yl-propoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[3-(3-hydroxypropylamino)-1-(3-thienyl)propoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[3-(3-hydroxypropylamino)-1-(3-thiophenyl)propoxy]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[3-(3-hydroxypropylamino)-1-thiophen-3-ylpropoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[3-(3-hydroxypropylamino)-1-(3-thienyl)propoxy]-6-(trifluoromethyl)nicotinonitrile Formula: C17H18F3N3O2S MolecularWeight: 385.40393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1C#N)OC(CCNCCCO)C2=CSC=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=NC(=C1C#N)OC(CCNCCCO)C2=CSC=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S/c18-17(19,20)15-3-2-12(10-21)16(23-15)25-14(13-5-9-26-11-13)4-7-22-6-1-8-24/h2-3,5,9,11,14,22,24H,1,4,6-8H2