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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-thiophen-3-yl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-thienyl)propoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-thiophenyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-thiophen-3-ylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-thienyl)propoxy]benzonitrile; oxalic acid Formula: C17H16ClFN2O5S MolecularWeight: 414.835743

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CSC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC(C1=CSC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H14ClFN2OS.C2H2O4/c1-19-4-2-14(10-3-5-21-9-10)20-15-7-12(16)13(17)6-11(15)8-18;3-1(4)2(5)6/h3,5-7,9,14,19H,2,4H2,1H3;(H,3,4)(H,5,6)