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

Systemtic Name: 2-(3-azanyl-1-thiophen-3-yl-propoxy)-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-amino-1-(3-thienyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid CAS Name: 2-[3-amino-1-(3-thiophenyl)propoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid IUPAC Name: 2-(3-amino-1-thiophen-3-ylpropoxy)-4-chloro-5-fluorobenzonitrile; oxalic acid Traditional Name: 2-[3-amino-1-(3-thienyl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid Formula: C16H14ClFN2O5S MolecularWeight: 400.809163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CSC=C1C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H12ClFN2OS.C2H2O4/c15-11-6-14(10(7-18)5-12(11)16)19-13(1-3-17)9-2-4-20-8-9;3-1(4)2(5)6/h2,4-6,8,13H,1,3,17H2;(H,3,4)(H,5,6)