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

Systemtic Name: 4-chloranyl-2-[4-(methylamino)-1-thiophen-3-yl-butoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[4-(methylamino)-1-(3-thienyl)butoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[4-(methylamino)-1-(3-thiophenyl)butoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[4-(methylamino)-1-thiophen-3-ylbutoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[4-(methylamino)-1-(3-thienyl)butoxy]benzonitrile; oxalic acid Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC(C1=CSC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCC(C1=CSC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17ClN2OS.C2H2O4/c1-19-7-2-3-15(13-6-8-21-11-13)20-16-9-14(17)5-4-12(16)10-18;3-1(4)2(5)6/h4-6,8-9,11,15,19H,2-3,7H2,1H3;(H,3,4)(H,5,6)