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

Systemtic Name: 4-chloranyl-2-[3-(methylamino)-1-thiophen-2-yl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[3-(methylamino)-1-(2-thienyl)propoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[3-(methylamino)-1-thiophen-2-ylpropoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[3-(methylamino)-1-thiophen-2-ylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[3-(methylamino)-1-(2-thienyl)propoxy]benzonitrile; oxalic acid Formula: C17H17ClN2O5S MolecularWeight: 396.84528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CS1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC(C1=CC=CS1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15ClN2OS.C2H2O4/c1-18-7-6-13(15-3-2-8-20-15)19-14-9-12(16)5-4-11(14)10-17;3-1(4)2(5)6/h2-5,8-9,13,18H,6-7H2,1H3;(H,3,4)(H,5,6)