2-[2-(4-bromophenyl)sulfanylethyl]pyridine; ethanedioic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethyl]pyridine; ethanedioic acid Openeye Name: 2-[2-(4-bromophenyl)sulfanylethyl]pyridine; oxalic acid CAS Name: 2-[2-[(4-bromophenyl)thio]ethyl]pyridine; oxalic acid IUPAC Name: 2-[2-(4-bromophenyl)sulfanylethyl]pyridine; oxalic acid Traditional Name: 2-[2-[(4-bromophenyl)thio]ethyl]pyridine; oxalic acid Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H12BrNS.C2H2O4/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12;3-1(4)2(5)6/h1-7,9H,8,10H2;(H,3,4)(H,5,6)