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

Systemtic Name: ethanedioic acid; 4-[2-(4-methylphenyl)sulfanylethyl]pyridine Openeye Name: oxalic acid; 4-[2-(p-tolylsulfanyl)ethyl]pyridine CAS Name: 4-[2-[(4-methylphenyl)thio]ethyl]pyridine; oxalic acid IUPAC Name: 4-[2-(4-methylphenyl)sulfanylethyl]pyridine; oxalic acid Traditional Name: oxalic acid; 4-[2-(p-tolylthio)ethyl]pyridine Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC2=CC=NC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC2=CC=NC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H15NS.C2H2O4/c1-12-2-4-14(5-3-12)16-11-8-13-6-9-15-10-7-13;3-1(4)2(5)6/h2-7,9-10H,8,11H2,1H3;(H,3,4)(H,5,6)