4-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine; ethanedioic acid

Systemtic Name: 4-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine; ethanedioic acid Openeye Name: 4-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine; oxalic acid CAS Name: 4-[2-[(3,4-dichlorophenyl)thio]ethyl]pyridine; oxalic acid IUPAC Name: 4-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine; oxalic acid Traditional Name: 4-[2-[(3,4-dichlorophenyl)thio]ethyl]pyridine; oxalic acid Formula: C15H13Cl2NO4S MolecularWeight: 374.23902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC2=CC=NC=C2)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1SCCC2=CC=NC=C2)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H11Cl2NS.C2H2O4/c14-12-2-1-11(9-13(12)15)17-8-5-10-3-6-16-7-4-10;3-1(4)2(5)6/h1-4,6-7,9H,5,8H2;(H,3,4)(H,5,6)