4-bromanyl-5-fluoranyl-2-[3-(3-oxidanylpropylamino)-1-thiophen-3-yl-propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-bromanyl-5-fluoranyl-2-[3-(3-oxidanylpropylamino)-1-thiophen-3-yl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-bromo-5-fluoro-2-[3-(3-hydroxypropylamino)-1-(3-thienyl)propoxy]benzonitrile; oxalic acid CAS Name: 4-bromo-5-fluoro-2-[3-(3-hydroxypropylamino)-1-(3-thiophenyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 4-bromo-5-fluoro-2-[3-(3-hydroxypropylamino)-1-thiophen-3-ylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-bromo-5-fluoro-2-[3-(3-hydroxypropylamino)-1-(3-thienyl)propoxy]benzonitrile; oxalic acid Formula: C19H20BrFN2O6S MolecularWeight: 503.339303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(CCNCCCO)OC2=CC(=C(C=C2C#N)F)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CSC=C1C(CCNCCCO)OC2=CC(=C(C=C2C#N)F)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18BrFN2O2S.C2H2O4/c18-14-9-17(13(10-20)8-15(14)19)23-16(12-3-7-24-11-12)2-5-21-4-1-6-22;3-1(4)2(5)6/h3,7-9,11,16,21-22H,1-2,4-6H2;(H,3,4)(H,5,6)