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

Systemtic Name: 4-bromanyl-2-[3-(cyclopropylamino)-1-thiophen-3-yl-propoxy]-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 4-bromo-2-[3-(cyclopropylamino)-1-(3-thienyl)propoxy]-5-fluoro-benzonitrile; oxalic acid CAS Name: 4-bromo-2-[3-(cyclopropylamino)-1-(3-thiophenyl)propoxy]-5-fluorobenzonitrile; oxalic acid IUPAC Name: 4-bromo-2-[3-(cyclopropylamino)-1-thiophen-3-ylpropoxy]-5-fluorobenzonitrile; oxalic acid Traditional Name: 4-bromo-2-[3-(cyclopropylamino)-1-(3-thienyl)propoxy]-5-fluoro-benzonitrile; oxalic acid Formula: C19H18BrFN2O5S MolecularWeight: 485.324023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCCC(C2=CSC=C2)OC3=CC(=C(C=C3C#N)F)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC1NCCC(C2=CSC=C2)OC3=CC(=C(C=C3C#N)F)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H16BrFN2OS.C2H2O4/c18-14-8-17(12(9-20)7-15(14)19)22-16(11-4-6-23-10-11)3-5-21-13-1-2-13;3-1(4)2(5)6/h4,6-8,10,13,16,21H,1-3,5H2;(H,3,4)(H,5,6)